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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2007-05-22 20:33:23 UTC

Update Date

2021-09-14 15:46:22 UTC

HMDB ID

HMDB0006268

Secondary Accession Numbers

HMDB06268

Metabolite Identification

Common Name

N-Acetylneuraminate 9-phosphate

Description

N-Acetylneuraminate 9-phosphate belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent. In humans, N-acetylneuraminate 9-phosphate is involved in the metabolic disorder called the tay-sachs disease pathway. N-Acetylneuraminate 9-phosphate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N-acetylneuraminate 9-phosphate a potential biomarker for the consumption of these foods. N-Acetylneuraminate 9-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on N-Acetylneuraminate 9-phosphate.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0006268
     RDKit          3D
N-Acetylneuraminate 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -3.1162    3.6483    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    2.4010    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    2.1668    2.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959    1.4877    0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760    0.2460    0.0194 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6274    0.0713   -1.1162 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2689    1.1991   -1.4129 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0258    0.8579   -2.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2538    1.5872   -0.3615 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9606    2.6957   -0.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    0.5321   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.0146    0.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.1147    1.0079 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2777   -0.4368   -0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963    0.5234    2.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073   -1.5632    1.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -1.0862   -0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -2.2461   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -3.0356   -2.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4213   -3.0277    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -2.5283    1.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -4.3255    0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -1.9855   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847   -0.8842   -0.0774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9665   -1.3554    1.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384    3.6042    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    4.5523    0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    3.7520    1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    1.7315   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.1440    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309   -0.1339   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    2.0964   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539   -0.0863   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    1.9240    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    2.5011   -1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -0.3372    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.1644   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120    0.8846    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -2.3103    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -3.3089   -1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -5.0716    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942   -1.8464   -2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -2.9309   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363   -0.4734   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6012   -0.6974    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  6 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 24 25  1  0
 24  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  6
  8 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 11 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  0
 23 42  1  0
 23 43  1  0
 24 44  1  6
 25 45  1  0
M  END

  Mrv0541 02231220352D          

 25 25  0  0  1  0            999 V2000
   12.9524   -5.7251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6669   -5.3126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9524   -6.5501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2380   -5.3126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3814   -5.7251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6669   -4.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669   -6.9626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2380   -4.4875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5235   -5.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3814   -6.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0959   -5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3814   -4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0794   -7.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2545   -7.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5235   -4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9524   -4.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0959   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3814   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669   -8.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9044   -7.6770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5235   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090   -2.8375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2215   -2.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0946   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3965   -3.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  4  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006268

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6-,7+,8-,9+,11?/m1/s1

> <INCHI_KEY>
SQMNIXJSBCSNCI-KHLKYKDFSA-N

> <FORMULA>
C11H20NO12P

> <MOLECULAR_WEIGHT>
389.2498

> <EXACT_MASS>
389.072311621

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
32.27659735868721

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-3.6875035503333335

> <ALOGPS_LOGS>
-1.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.990558101442905

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4741477023160616

> <JCHEM_PKA_STRONGEST_BASIC>
-3.10462859121155

> <JCHEM_POLAR_SURFACE_AREA>
223.30999999999995

> <JCHEM_REFRACTIVITY>
74.65429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006268
     RDKit          3D
N-Acetylneuraminate 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -3.1162    3.6483    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    2.4010    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    2.1668    2.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959    1.4877    0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760    0.2460    0.0194 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6274    0.0713   -1.1162 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2689    1.1991   -1.4129 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0258    0.8579   -2.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2538    1.5872   -0.3615 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9606    2.6957   -0.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    0.5321   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.0146    0.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.1147    1.0079 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2777   -0.4368   -0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963    0.5234    2.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073   -1.5632    1.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -1.0862   -0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -2.2461   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -3.0356   -2.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4213   -3.0277    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -2.5283    1.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -4.3255    0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -1.9855   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847   -0.8842   -0.0774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9665   -1.3554    1.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384    3.6042    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    4.5523    0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    3.7520    1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    1.7315   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.1440    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309   -0.1339   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    2.0964   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539   -0.0863   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    1.9240    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    2.5011   -1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -0.3372    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.1644   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120    0.8846    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -2.3103    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -3.3089   -1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -5.0716    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942   -1.8464   -2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -2.9309   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363   -0.4734   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6012   -0.6974    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  6 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 24 25  1  0
 24  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  6
  8 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 11 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  0
 23 42  1  0
 23 43  1  0
 24 44  1  6
 25 45  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      24.178 -10.687   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      25.512  -9.917   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      24.178 -12.227   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      22.844  -9.917   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.845 -10.687   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      25.512  -8.377   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      25.512 -12.997   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.844  -8.377   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      21.511 -10.687   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      26.845 -12.227   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      28.179  -9.917   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      26.845  -7.607   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.282 -14.330   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      24.742 -14.330   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      21.511  -7.607   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      24.178  -7.607   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      28.179  -8.377   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      26.845  -6.067   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      25.512 -15.664   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      27.822 -14.330   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      21.511  -6.067   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      20.177  -5.297   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      20.947  -3.963   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      18.843  -4.527   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      19.407  -6.630   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13   14   10                                             
CONECT    8    4   15   16                                                  
CONECT    9    4                                                            
CONECT   10    5    7                                                       
CONECT   11    5                                                            
CONECT   12    6   17   18                                                  
CONECT   13    7   19   20                                                  
CONECT   14    7                                                            
CONECT   15    8   21                                                       
CONECT   16    8                                                            
CONECT   17   12                                                            
CONECT   18   12                                                            
CONECT   19   13                                                            
CONECT   20   13                                                            
CONECT   21   15   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

COMPND    HMDB0006268
HETATM    1  C1  UNL     1      -3.116   3.648   0.972  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.342   2.401   1.084  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.725   2.167   2.144  1.00  0.00           O  
HETATM    4  N1  UNL     1      -2.296   1.488   0.020  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.576   0.246   0.019  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.627   0.071  -1.116  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.269   1.199  -1.413  1.00  0.00           C  
HETATM    8  O2  UNL     1       1.026   0.858  -2.560  1.00  0.00           O  
HETATM    9  C6  UNL     1       1.254   1.587  -0.361  1.00  0.00           C  
HETATM   10  O3  UNL     1       1.961   2.696  -0.899  1.00  0.00           O  
HETATM   11  C7  UNL     1       2.323   0.532  -0.146  1.00  0.00           C  
HETATM   12  O4  UNL     1       3.309   1.015   0.741  1.00  0.00           O  
HETATM   13  P1  UNL     1       4.507  -0.115   1.008  1.00  0.00           P  
HETATM   14  O5  UNL     1       5.278  -0.437  -0.249  1.00  0.00           O  
HETATM   15  O6  UNL     1       5.596   0.523   2.127  1.00  0.00           O  
HETATM   16  O7  UNL     1       3.907  -1.563   1.637  1.00  0.00           O  
HETATM   17  O8  UNL     1       0.106  -1.086  -0.879  1.00  0.00           O  
HETATM   18  C8  UNL     1      -0.668  -2.246  -0.907  1.00  0.00           C  
HETATM   19  O9  UNL     1      -0.351  -3.036  -2.021  1.00  0.00           O  
HETATM   20  C9  UNL     1      -0.421  -3.028   0.330  1.00  0.00           C  
HETATM   21  O10 UNL     1      -0.630  -2.528   1.474  1.00  0.00           O  
HETATM   22  O11 UNL     1       0.046  -4.325   0.206  1.00  0.00           O  
HETATM   23  C10 UNL     1      -2.143  -1.986  -0.989  1.00  0.00           C  
HETATM   24  C11 UNL     1      -2.585  -0.884  -0.077  1.00  0.00           C  
HETATM   25  O12 UNL     1      -2.966  -1.355   1.177  1.00  0.00           O  
HETATM   26  H1  UNL     1      -3.838   3.604   0.121  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.501   4.552   0.854  1.00  0.00           H  
HETATM   28  H3  UNL     1      -3.762   3.752   1.890  1.00  0.00           H  
HETATM   29  H4  UNL     1      -2.828   1.731  -0.841  1.00  0.00           H  
HETATM   30  H5  UNL     1      -1.071   0.144   1.001  1.00  0.00           H  
HETATM   31  H6  UNL     1      -1.231  -0.134  -2.035  1.00  0.00           H  
HETATM   32  H7  UNL     1      -0.317   2.096  -1.784  1.00  0.00           H  
HETATM   33  H8  UNL     1       1.254  -0.086  -2.576  1.00  0.00           H  
HETATM   34  H9  UNL     1       0.826   1.924   0.581  1.00  0.00           H  
HETATM   35  H10 UNL     1       2.137   2.501  -1.868  1.00  0.00           H  
HETATM   36  H11 UNL     1       1.875  -0.337   0.414  1.00  0.00           H  
HETATM   37  H12 UNL     1       2.753   0.164  -1.073  1.00  0.00           H  
HETATM   38  H13 UNL     1       6.412   0.885   1.686  1.00  0.00           H  
HETATM   39  H14 UNL     1       4.485  -2.310   1.334  1.00  0.00           H  
HETATM   40  H15 UNL     1       0.599  -3.309  -1.968  1.00  0.00           H  
HETATM   41  H16 UNL     1      -0.643  -5.072   0.232  1.00  0.00           H  
HETATM   42  H17 UNL     1      -2.494  -1.846  -2.039  1.00  0.00           H  
HETATM   43  H18 UNL     1      -2.652  -2.931  -0.638  1.00  0.00           H  
HETATM   44  H19 UNL     1      -3.536  -0.473  -0.530  1.00  0.00           H  
HETATM   45  H20 UNL     1      -3.601  -0.697   1.562  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    3    4
CONECT    4    5   29
CONECT    5    6   24   30
CONECT    6    7   17   31
CONECT    7    8    9   32
CONECT    8   33
CONECT    9   10   11   34
CONECT   10   35
CONECT   11   12   36   37
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   38
CONECT   16   39
CONECT   17   18
CONECT   18   19   20   23
CONECT   19   40
CONECT   20   21   21   22
CONECT   22   41
CONECT   23   24   42   43
CONECT   24   25   44
CONECT   25   45
END

HMDB0006268
     RDKit          3D
N-Acetylneuraminate 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -3.1162    3.6483    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    2.4010    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    2.1668    2.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2959    1.4877    0.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760    0.2460    0.0194 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6274    0.0713   -1.1162 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2689    1.1991   -1.4129 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0258    0.8579   -2.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2538    1.5872   -0.3615 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9606    2.6957   -0.8991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    0.5321   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.0146    0.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -0.1147    1.0079 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.2777   -0.4368   -0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963    0.5234    2.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073   -1.5632    1.6368 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -1.0862   -0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -2.2461   -0.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506   -3.0356   -2.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4213   -3.0277    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -2.5283    1.4740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -4.3255    0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -1.9855   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847   -0.8842   -0.0774 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9665   -1.3554    1.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384    3.6042    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    4.5523    0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    3.7520    1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    1.7315   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0714    0.1440    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309   -0.1339   -2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    2.0964   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539   -0.0863   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    1.9240    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368    2.5011   -1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -0.3372    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.1644   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120    0.8846    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -2.3103    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -3.3089   -1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -5.0716    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942   -1.8464   -2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -2.9309   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363   -0.4734   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6012   -0.6974    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  6 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 24 25  1  0
 24  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  6
  8 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 11 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  0
 23 42  1  0
 23 43  1  0
 24 44  1  6
 25 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-Acetylneuraminic acid 9-phosphoric acid	Generator

Chemical Formula

C₁₁H₂₀NO₁₂P

Average Molecular Weight

389.2498

Monoisotopic Molecular Weight

389.072311621

IUPAC Name

(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

Traditional Name

(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6-,7+,8-,9+,11?/m1/s1

InChI Key

SQMNIXJSBCSNCI-KHLKYKDFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acylneuraminic acids

Alternative Parents

Substituents

N-acylneuraminic acid
Neuraminic acid
C-glucuronide
C-glycosyl compound
Glycosyl compound
Monoalkyl phosphate
Alpha-hydroxy acid
Organic phosphoric acid derivative
Hydroxy acid
Oxane
Phosphoric acid ester
Alkyl phosphate
Pyran
Acetamide
Secondary carboxylic acid amide
Carboxamide group
Secondary alcohol
Hemiacetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Urine (PMID: 23163809)

Cellular substructure

Cytoplasm (HMDB: HMDB0006268)

Source

Endogenous

Endogenous (HMDB: HMDB0006268)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Amino Sugar Metabolism (HMDB: HMDB0006268)
Amino Sugar Metabolism (PathBank: SMP0063580)

Disease pathway

Salla Disease/Infantile Sialic Acid Storage Disease (PathBank: SMP0120524)
G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease (PathBank: SMP0120599)
Sialuria or French Type Sialuria (PathBank: SMP0000216)
Tay-Sachs Disease (PathBank: SMP0120545)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	15.9 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.7	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.47	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.31 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	74.65 m³·mol⁻¹	ChemAxon
Polarizability	32.28 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	188.786	31661259
DarkChem	[M-H]-	185.591	31661259
DeepCCS	[M+H]+	184.328	30932474
DeepCCS	[M-H]-	181.933	30932474
DeepCCS	[M-2H]-	214.818	30932474
DeepCCS	[M+Na]+	190.241	30932474
AllCCS	[M+H]+	183.8	32859911
AllCCS	[M+H-H2O]+	181.1	32859911
AllCCS	[M+NH4]+	186.2	32859911
AllCCS	[M+Na]+	186.9	32859911
AllCCS	[M-H]-	178.9	32859911
AllCCS	[M+Na-2H]-	178.9	32859911
AllCCS	[M+HCOO]-	179.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylneuraminate 9-phosphate	CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O	3971.9	Standard polar	33892256
N-Acetylneuraminate 9-phosphate	CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O	2565.5	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate	CC(=O)N[C@H]1[C@H](O)CC(O)(O[C@@H]1[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O	3339.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylneuraminate 9-phosphate,1TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2917.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2949.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O	2931.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2941.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2890.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3006.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2955.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2843.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2965.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2900.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2864.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2842.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #14	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2926.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #15	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2880.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #16	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2823.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2923.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2871.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2882.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2840.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2829.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2970.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2953.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2855.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2776.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2894.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2884.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #7	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2876.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2895.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TMS,isomer #9	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2824.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2815.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2752.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #11	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2845.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #12	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2844.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2817.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2791.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #15	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2858.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2872.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2860.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #18	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2819.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2914.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2827.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2858.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2811.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #22	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2908.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #23	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2847.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #24	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2848.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #25	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2800.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #26	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2932.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #27	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2899.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #28	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2832.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #29	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2889.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2815.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #30	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2839.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #31	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2894.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #32	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2817.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #33	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2959.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #34	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2897.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #35	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2855.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #36	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2793.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #37	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2923.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #38	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2874.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #39	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2897.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2869.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #40	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2848.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #41	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2893.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2848.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2819.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #7	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2782.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2837.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2826.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2853.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2934.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2891.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2816.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2883.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2860.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #15	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2872.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2818.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2907.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2869.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2841.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2832.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2818.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2913.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2882.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #23	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2901.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #24	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2858.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #25	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2897.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #26	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2844.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #27	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2918.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #28	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2860.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #29	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2904.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2870.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #30	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2830.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #31	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2979.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #32	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2909.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #33	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2890.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #34	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2828.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #35	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2967.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #36	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2893.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #37	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2932.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #38	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2859.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #39	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2923.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2839.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #40	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2905.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #41	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2825.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #42	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O	2955.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #43	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2884.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #44	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2973.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #45	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2888.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #46	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2933.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #47	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2937.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #48	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2863.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #49	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2903.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2828.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #50	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2898.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2900.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2869.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2902.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2836.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2850.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2964.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2927.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2954.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #13	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2908.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2933.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #15	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2890.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2857.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2940.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2916.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2918.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2914.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2888.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #21	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2913.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #22	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2903.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #23	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2884.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #24	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2927.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #25	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2918.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #26	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2916.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #27	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2859.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #28	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O	2974.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2923.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #3	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2889.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #30	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2966.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #31	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2903.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #32	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2962.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #33	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2952.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #34	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2900.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #35	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2945.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2925.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #37	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O	2962.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #38	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2899.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #39	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2934.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2910.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #40	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2948.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2920.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2858.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C	2924.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2899.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2910.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,5TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2861.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2911.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2934.4	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	3721.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2968.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2911.5	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3596.0	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2940.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2881.0	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3488.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2914.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2946.3	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	3547.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2919.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2944.6	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3687.2	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2955.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2923.2	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3618.6	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2923.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2892.2	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3507.5	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2935.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2929.3	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3567.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2943.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	2961.7	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O	3600.3	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2924.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2986.3	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3722.1	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2965.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	2974.1	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C	3615.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2903.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2945.9	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3827.1	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2943.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2976.3	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3559.4	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2937.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2991.9	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3582.4	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2940.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2937.5	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3538.0	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2952.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	2909.8	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C	3601.2	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2946.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2923.2	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3761.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2928.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2887.6	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	3498.1	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2925.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2894.9	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3646.2	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2948.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2878.7	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3596.3	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2936.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2921.6	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	3551.4	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2925.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2934.0	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3659.4	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2953.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	2973.9	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C	3455.1	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2968.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2976.8	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3526.6	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3004.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2955.0	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3465.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2966.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2928.9	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3370.6	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2970.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2963.3	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3388.8	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2964.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2971.5	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[Si](C)(C)C	3411.1	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	2966.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3008.2	Standard non polar	33892256
N-Acetylneuraminate 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H]1O)[Si](C)(C)C	3432.2	Standard polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3103.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3165.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O	3139.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3145.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3130.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3240.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,1TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3141.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3254.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3387.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3278.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3272.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3266.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3350.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #15	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3272.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #16	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3256.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3338.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3255.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3348.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3240.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3242.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3407.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3342.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3251.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3231.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3311.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #6	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3262.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3288.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3299.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,2TBDMS,isomer #9	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3277.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3444.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3436.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #11	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3495.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #12	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3457.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3498.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3436.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3525.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3472.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #18	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3457.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3536.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3458.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3467.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3460.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #22	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3542.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #23	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3455.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #24	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3527.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #25	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3443.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #26	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3595.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #27	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3505.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #28	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3456.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #29	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3516.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3458.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #30	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3449.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #31	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3541.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3448.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #33	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3587.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3500.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #35	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3518.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3423.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #37	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3560.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #38	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3475.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #39	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3579.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3505.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #40	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3482.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #41	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3530.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #5	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3465.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3453.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3438.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3487.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,3TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3440.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3669.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3734.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3710.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3654.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3712.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #14	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3675.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3716.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3654.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3714.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #18	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3678.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3698.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3659.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3659.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3732.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3693.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #23	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3747.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #24	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #25	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #26	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3663.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #27	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3733.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #28	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3668.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #29	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3729.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3693.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #30	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3665.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #31	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3778.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3713.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #33	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3731.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3658.0	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #35	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O	3783.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3698.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #37	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3764.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #38	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3681.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #39	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3733.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #4	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3657.7	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #40	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3732.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #41	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3653.6	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #42	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O	3760.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #43	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3690.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #44	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3797.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #45	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3701.3	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #46	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3738.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #47	CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O	3769.5	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #48	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3680.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #49	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O)C[C@H]1O)[Si](C)(C)C(C)(C)C	3709.9	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3662.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #50	CC(=O)N([C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O)[Si](C)(C)C(C)(C)C	3721.4	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C	3721.2	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3690.1	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C	3735.8	Semi standard non polar	33892256
N-Acetylneuraminate 9-phosphate,4TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3680.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminate 9-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-9743000000-b73738966b1be90e21d5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminate 9-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-03di-9540238000-9bc6425495a2d9e98f2b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminate 9-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 10V, Negative-QTOF	splash10-0umj-4494000000-0fa3501a59ff2e606f0a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 20V, Negative-QTOF	splash10-004r-9000000000-abb61d928b00d92157c7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-9e6e329e3f59fa84a900	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 10V, Negative-QTOF	splash10-000i-4009000000-d6b4f4b8476c8d6a4a36	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 20V, Negative-QTOF	splash10-004i-9011000000-c3431ad5859428c34f7f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-bc034ee0d5c885fabb67	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 10V, Positive-QTOF	splash10-00dl-1139000000-31a61c834ec1e7590647	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 20V, Positive-QTOF	splash10-00dm-6798000000-0e71876811a2de198680	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 40V, Positive-QTOF	splash10-01ow-9360000000-c2de932aecb7f5fddf22	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 10V, Positive-QTOF	splash10-00dl-0069000000-edb6d11a2180e45d1a91	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 20V, Positive-QTOF	splash10-0597-4396000000-f925a0977a45095edef5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminate 9-phosphate 40V, Positive-QTOF	splash10-000y-9510000000-0b4a7128a16fcd8e1733	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Amino Sugar Metabolism
Sialuria or French Type Sialuria		Not Available
Salla Disease/Infantile Sialic Acid Storage Disease		Not Available
Tay-Sachs Disease		Not Available
G(M2)-Gangliosidosis: Variant B, Tay-sachs disease		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Female	Epithelial ovarian cancer	23163809	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023867

KNApSAcK ID

Not Available

Chemspider ID

30776539

KEGG Compound ID

C06241

BioCyc ID

Not Available

BiGG ID

47736

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53477814

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Sialic acid synthase

General function:: Involved in catalytic activity
Specific function:: Produces N-acetylneuraminic acid (Neu5Ac) and 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN). Can also use N-acetylmannosamine 6-phosphate and mannose 6-phosphate as substrates to generate phosphorylated forms of Neu5Ac and KDN, respectively.
Gene Name:: NANS
Uniprot ID:: Q9NR45
Molecular weight:: 40307.26

Enzyme Details

2. N-acylneuraminate-9-phosphatase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: NANP
Uniprot ID:: Q8TBE9
Molecular weight:: 27812.875

Showing metabocard for N-Acetylneuraminate 9-phosphate (HMDB0006268)

MOL for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

3D MOL for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

3D SDF for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

3D-SDF for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

PDB for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

3D PDB for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

SMILES for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

INCHI for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

Structure for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

3D Structure for HMDB0006268 (N-Acetylneuraminate 9-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes