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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-23 11:29:59 UTC

Update Date

2021-09-14 15:42:11 UTC

HMDB ID

HMDB0006485

Secondary Accession Numbers

HMDB06485

Metabolite Identification

Common Name

10-Formyldihydrofolate

Description

10-formyldihydrofolate is a folate compound that has not been found as a component of intracellular folates in normal tissues but has been identified in the cytosol of methotrexate (MTX)-treated MCF-7 breast cancer cells and normal human myeloid precursor cells. The origin of 10-formyldihydrofolate remains an enigma. Its appearance only in the extracts from MTX-treated cells is not consistent with a simple oxidation of lO-formyl-H4folate during the extraction procedure. This, however, does not exclude the occurrence of spontaneous oxidation of 10-formyl-H4folate within the intact cells prior to the folate extraction. (PMID: 3366769 ).

Structure

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

  Mrv0541 02231220402D          

 34 36  0  0  1  0            999 V2000
   20.9636   -8.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4021  -10.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6924  -12.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5411  -10.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9831  -13.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -11.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3924   -8.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2603  -11.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6927  -12.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164  -12.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164  -13.8228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -13.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499  -12.5567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6354  -13.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9700  -10.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6828   -9.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9731  -10.8675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6797   -8.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6892  -11.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5442  -10.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8313  -11.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8345  -12.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1153  -10.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4056  -12.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1216  -12.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4024  -11.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9767  -12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2638  -12.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6959  -13.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2638  -13.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788  -12.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788  -13.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -12.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499  -13.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 29  2  0  0  0  0
  6 33  2  0  0  0  0
  7 18  1  0  0  0  0
 17  8  1  1  0  0  0
  8 20  1  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 28  2  0  0  0  0
 10 31  1  0  0  0  0
 11 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 32  1  0  0  0  0
 12 34  2  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END

HMDB0006485
     RDKit          3D
10-Formyldihydrofolate
 55 57  0  0  0  0  0  0  0  0999 V2000
    7.2963    3.6736    0.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689    2.8132    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    1.4962    0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5077    0.6280   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    1.1240   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5433    2.4680   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    2.9125   -2.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391    3.2724   -0.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    0.1970   -1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -1.0541   -1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.9712   -2.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -2.6713   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -3.9298   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907   -4.5257   -0.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -2.0828   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -2.5019   -1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060   -1.8605   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -0.8022    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902   -0.1192    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.9158    1.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0948   -0.5700    0.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2248    0.1555    1.1368 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3165    0.4119    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8865    1.2232   -1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4135    2.5423   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2565    2.8159   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3243    3.6135   -0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373   -0.6774    2.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538   -1.7597    2.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8469   -0.1843    2.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522   -0.3945    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488   -1.0342    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -1.6918   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.7554    0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    3.8124    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0469    4.1702    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4311    4.3176   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.3804   -2.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -2.6632   -2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -4.4154    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529   -3.3330   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6758   -2.2208   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2441   -1.4351    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8752    1.1046    1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8064   -0.5380   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0867    1.0343    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0840    0.7216   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7990    1.3826   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2645    3.4659   -0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548    0.3259    3.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    0.4372    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390   -0.6924    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097   -2.1731    0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -2.5252   -0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716   -1.0728    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  2  0
 28 30  1  0
 18 31  1  0
 31 32  2  0
 10 33  1  0
 33 34  1  0
  8  2  1  0
 32 15  1  0
 34  4  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 16 41  1  0
 17 42  1  0
 21 43  1  0
 22 44  1  1
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
 27 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 33 54  1  0
 34 55  1  0
M  END

  Mrv0541 02231220402D          

 34 36  0  0  1  0            999 V2000
   20.9636   -8.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4021  -10.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6924  -12.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5411  -10.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9831  -13.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -11.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3924   -8.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2603  -11.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6927  -12.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164  -12.1156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164  -13.8228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -13.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499  -12.5567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6354  -13.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9700  -10.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6828   -9.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9731  -10.8675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6797   -8.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6892  -11.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5442  -10.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8313  -11.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8345  -12.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1153  -10.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4056  -12.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1216  -12.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4024  -11.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9767  -12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2638  -12.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6959  -13.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2638  -13.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788  -12.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788  -13.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0644  -12.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3499  -13.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 29  2  0  0  0  0
  6 33  2  0  0  0  0
  7 18  1  0  0  0  0
 17  8  1  1  0  0  0
  8 20  1  0  0  0  0
  9 24  1  0  0  0  0
  9 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 28  2  0  0  0  0
 10 31  1  0  0  0  0
 11 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 32  1  0  0  0  0
 12 34  2  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006485

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1

> <INCHI_KEY>
UXFQDXABPXWSTK-ZDUSSCGKSA-N

> <FORMULA>
C20H21N7O7

> <MOLECULAR_WEIGHT>
471.4234

> <EXACT_MASS>
471.150246061

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
44.81989917376744

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid

> <ALOGPS_LOGP>
-1.26

> <JCHEM_LOGP>
-2.3975139884897843

> <ALOGPS_LOGS>
-3.66

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.076159587182289

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.961749753741694

> <JCHEM_PKA_STRONGEST_BASIC>
3.5050977269416808

> <JCHEM_POLAR_SURFACE_AREA>
215.88

> <JCHEM_REFRACTIVITY>
124.48600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-formyldihydrofolic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006485
     RDKit          3D
10-Formyldihydrofolate
 55 57  0  0  0  0  0  0  0  0999 V2000
    7.2963    3.6736    0.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689    2.8132    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    1.4962    0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5077    0.6280   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    1.1240   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5433    2.4680   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    2.9125   -2.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391    3.2724   -0.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    0.1970   -1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -1.0541   -1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.9712   -2.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -2.6713   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -3.9298   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907   -4.5257   -0.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -2.0828   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -2.5019   -1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060   -1.8605   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -0.8022    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902   -0.1192    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.9158    1.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0948   -0.5700    0.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2248    0.1555    1.1368 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3165    0.4119    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8865    1.2232   -1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4135    2.5423   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2565    2.8159   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3243    3.6135   -0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373   -0.6774    2.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538   -1.7597    2.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8469   -0.1843    2.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522   -0.3945    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488   -1.0342    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -1.6918   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.7554    0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    3.8124    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0469    4.1702    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4311    4.3176   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.3804   -2.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -2.6632   -2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -4.4154    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529   -3.3330   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6758   -2.2208   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2441   -1.4351    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8752    1.1046    1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8064   -0.5380   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0867    1.0343    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0840    0.7216   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7990    1.3826   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2645    3.4659   -0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548    0.3259    3.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    0.4372    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390   -0.6924    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097   -2.1731    0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -2.5252   -0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716   -1.0728    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  2  0
 28 30  1  0
 18 31  1  0
 31 32  2  0
 10 33  1  0
 33 34  1  0
  8  2  1  0
 32 15  1  0
 34  4  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 16 41  1  0
 17 42  1  0
 21 43  1  0
 22 44  1  1
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
 27 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 33 54  1  0
 34 55  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  O   UNK     0      39.132 -15.666   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      41.817 -20.276   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      40.492 -22.591   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      36.477 -18.756   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      29.835 -25.712   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      24.387 -21.129   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      41.799 -15.656   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      37.819 -21.061   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      31.160 -23.397   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      27.097 -22.616   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      27.097 -25.803   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      24.387 -25.749   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      23.053 -23.439   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      21.719 -25.749   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      39.144 -18.746   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      40.475 -17.971   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      39.150 -20.286   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      40.469 -16.431   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      40.487 -21.051   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      36.483 -20.296   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      35.152 -21.071   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      35.158 -22.611   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      33.815 -20.307   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      32.490 -22.622   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      33.827 -23.387   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.484 -21.082   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      29.823 -22.632   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.492 -23.407   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      31.166 -24.937   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      28.492 -25.011   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      25.720 -23.439   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      25.720 -24.979   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      24.387 -22.669   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      23.053 -24.979   0.000  0.00  0.00           C+0
CONECT    1   18                                                            
CONECT    2   19                                                            
CONECT    3   19                                                            
CONECT    4   20                                                            
CONECT    5   29                                                            
CONECT    6   33                                                            
CONECT    7   18                                                            
CONECT    8   17   20                                                       
CONECT    9   24   27   29                                                  
CONECT   10   28   31                                                       
CONECT   11   30   32                                                       
CONECT   12   32   34                                                       
CONECT   13   33   34                                                       
CONECT   14   34                                                            
CONECT   15   16   17                                                       
CONECT   16   15   18                                                       
CONECT   17    8   15   19                                                  
CONECT   18    1    7   16                                                  
CONECT   19    2    3   17                                                  
CONECT   20    4    8   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21   25                                                       
CONECT   23   21   26                                                       
CONECT   24    9   25   26                                                  
CONECT   25   22   24                                                       
CONECT   26   23   24                                                       
CONECT   27    9   28                                                       
CONECT   28   10   27   30                                                  
CONECT   29    5    9                                                       
CONECT   30   11   28                                                       
CONECT   31   10   32   33                                                  
CONECT   32   11   12   31                                                  
CONECT   33    6   13   31                                                  
CONECT   34   12   13   14                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0006485
HETATM    1  N1  UNL     1       7.296   3.674   0.781  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.369   2.813   0.173  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.381   1.496   0.424  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.508   0.628  -0.140  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.568   1.124  -1.007  1.00  0.00           C  
HETATM    6  C4  UNL     1       4.543   2.468  -1.273  1.00  0.00           C  
HETATM    7  O1  UNL     1       3.680   2.912  -2.068  1.00  0.00           O  
HETATM    8  N3  UNL     1       5.439   3.272  -0.680  1.00  0.00           N  
HETATM    9  N4  UNL     1       3.674   0.197  -1.583  1.00  0.00           N  
HETATM   10  C5  UNL     1       3.672  -1.054  -1.363  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.673  -1.971  -2.028  1.00  0.00           C  
HETATM   12  N5  UNL     1       1.865  -2.671  -1.078  1.00  0.00           N  
HETATM   13  C7  UNL     1       2.239  -3.930  -0.553  1.00  0.00           C  
HETATM   14  O2  UNL     1       3.291  -4.526  -0.870  1.00  0.00           O  
HETATM   15  C8  UNL     1       0.644  -2.083  -0.645  1.00  0.00           C  
HETATM   16  C9  UNL     1      -0.579  -2.502  -1.060  1.00  0.00           C  
HETATM   17  C10 UNL     1      -1.706  -1.860  -0.576  1.00  0.00           C  
HETATM   18  C11 UNL     1      -1.630  -0.802   0.320  1.00  0.00           C  
HETATM   19  C12 UNL     1      -2.790  -0.119   0.844  1.00  0.00           C  
HETATM   20  O3  UNL     1      -2.614   0.916   1.554  1.00  0.00           O  
HETATM   21  N6  UNL     1      -4.095  -0.570   0.589  1.00  0.00           N  
HETATM   22  C13 UNL     1      -5.225   0.155   1.137  1.00  0.00           C  
HETATM   23  C14 UNL     1      -6.317   0.412   0.163  1.00  0.00           C  
HETATM   24  C15 UNL     1      -5.886   1.223  -1.014  1.00  0.00           C  
HETATM   25  C16 UNL     1      -5.413   2.542  -0.557  1.00  0.00           C  
HETATM   26  O4  UNL     1      -4.257   2.816  -0.192  1.00  0.00           O  
HETATM   27  O5  UNL     1      -6.324   3.613  -0.517  1.00  0.00           O  
HETATM   28  C17 UNL     1      -5.737  -0.677   2.269  1.00  0.00           C  
HETATM   29  O6  UNL     1      -5.254  -1.760   2.619  1.00  0.00           O  
HETATM   30  O7  UNL     1      -6.847  -0.184   2.977  1.00  0.00           O  
HETATM   31  C18 UNL     1      -0.352  -0.394   0.728  1.00  0.00           C  
HETATM   32  C19 UNL     1       0.749  -1.034   0.244  1.00  0.00           C  
HETATM   33  C20 UNL     1       4.628  -1.692  -0.462  1.00  0.00           C  
HETATM   34  N7  UNL     1       5.532  -0.755   0.139  1.00  0.00           N  
HETATM   35  H1  UNL     1       8.229   3.812   0.363  1.00  0.00           H  
HETATM   36  H2  UNL     1       7.047   4.170   1.650  1.00  0.00           H  
HETATM   37  H3  UNL     1       5.431   4.318  -0.877  1.00  0.00           H  
HETATM   38  H4  UNL     1       2.017  -1.380  -2.713  1.00  0.00           H  
HETATM   39  H5  UNL     1       3.280  -2.663  -2.649  1.00  0.00           H  
HETATM   40  H6  UNL     1       1.595  -4.415   0.159  1.00  0.00           H  
HETATM   41  H7  UNL     1      -0.653  -3.333  -1.764  1.00  0.00           H  
HETATM   42  H8  UNL     1      -2.676  -2.221  -0.931  1.00  0.00           H  
HETATM   43  H9  UNL     1      -4.244  -1.435   0.002  1.00  0.00           H  
HETATM   44  H10 UNL     1      -4.875   1.105   1.572  1.00  0.00           H  
HETATM   45  H11 UNL     1      -6.806  -0.538  -0.155  1.00  0.00           H  
HETATM   46  H12 UNL     1      -7.087   1.034   0.705  1.00  0.00           H  
HETATM   47  H13 UNL     1      -5.084   0.722  -1.594  1.00  0.00           H  
HETATM   48  H14 UNL     1      -6.799   1.383  -1.659  1.00  0.00           H  
HETATM   49  H15 UNL     1      -7.265   3.466  -0.128  1.00  0.00           H  
HETATM   50  H16 UNL     1      -6.755   0.326   3.846  1.00  0.00           H  
HETATM   51  H17 UNL     1      -0.292   0.437   1.433  1.00  0.00           H  
HETATM   52  H18 UNL     1       1.739  -0.692   0.580  1.00  0.00           H  
HETATM   53  H19 UNL     1       4.010  -2.173   0.365  1.00  0.00           H  
HETATM   54  H20 UNL     1       5.190  -2.525  -0.962  1.00  0.00           H  
HETATM   55  H21 UNL     1       6.272  -1.073   0.834  1.00  0.00           H  
CONECT    1    2   35   36
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6    9
CONECT    6    7    7    8
CONECT    8   37
CONECT    9   10   10
CONECT   10   11   33
CONECT   11   12   38   39
CONECT   12   13   15
CONECT   13   14   14   40
CONECT   15   16   16   32
CONECT   16   17   41
CONECT   17   18   18   42
CONECT   18   19   31
CONECT   19   20   20   21
CONECT   21   22   43
CONECT   22   23   28   44
CONECT   23   24   45   46
CONECT   24   25   47   48
CONECT   25   26   26   27
CONECT   27   49
CONECT   28   29   29   30
CONECT   30   50
CONECT   31   32   32   51
CONECT   32   52
CONECT   33   34   53   54
CONECT   34   55
END

HMDB0006485
     RDKit          3D
10-Formyldihydrofolate
 55 57  0  0  0  0  0  0  0  0999 V2000
    7.2963    3.6736    0.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689    2.8132    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    1.4962    0.4238 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5077    0.6280   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    1.1240   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5433    2.4680   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    2.9125   -2.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391    3.2724   -0.6799 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6743    0.1970   -1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723   -1.0541   -1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730   -1.9712   -2.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -2.6713   -1.0780 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -3.9298   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907   -4.5257   -0.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6442   -2.0828   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -2.5019   -1.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060   -1.8605   -0.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -0.8022    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902   -0.1192    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.9158    1.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0948   -0.5700    0.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2248    0.1555    1.1368 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3165    0.4119    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8865    1.2232   -1.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4135    2.5423   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2565    2.8159   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3243    3.6135   -0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373   -0.6774    2.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2538   -1.7597    2.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8469   -0.1843    2.9768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522   -0.3945    0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7488   -1.0342    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6283   -1.6918   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.7554    0.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    3.8124    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0469    4.1702    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4311    4.3176   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.3804   -2.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -2.6632   -2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -4.4154    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529   -3.3330   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6758   -2.2208   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2441   -1.4351    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8752    1.1046    1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8064   -0.5380   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0867    1.0343    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0840    0.7216   -1.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7990    1.3826   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2645    3.4659   -0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548    0.3259    3.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    0.4372    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390   -0.6924    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097   -2.1731    0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -2.5252   -0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716   -1.0728    0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  2  0
 28 30  1  0
 18 31  1  0
 31 32  2  0
 10 33  1  0
 33 34  1  0
  8  2  1  0
 32 15  1  0
 34  4  1  0
  1 35  1  0
  1 36  1  0
  8 37  1  0
 11 38  1  0
 11 39  1  0
 13 40  1  0
 16 41  1  0
 17 42  1  0
 21 43  1  0
 22 44  1  1
 23 45  1  0
 23 46  1  0
 24 47  1  0
 24 48  1  0
 27 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
 33 54  1  0
 34 55  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
10-Formyl-7,8-dihydrofolate	ChEBI
N-(10-Formyl-7,8-dihydropteroyl)-L-glutamate	ChEBI
10-Formyl-7,8-dihydrofolic acid	Generator
N-(10-Formyl-7,8-dihydropteroyl)-L-glutamic acid	Generator
10-Formyldihydrofolic acid	Generator
10-Formyldihydropteroylglutamate	HMDB
10-Formyldihydrofolate	ChEBI

Chemical Formula

C₂₀H₂₁N₇O₇

Average Molecular Weight

471.4234

Monoisotopic Molecular Weight

471.150246061

IUPAC Name

(2S)-2-[(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid

Traditional Name

10-formyldihydrofolic acid

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1

InChI Identifier

InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1

InChI Key

UXFQDXABPXWSTK-ZDUSSCGKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dihydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6-dihydropteroic acid/7,8-dihydropteroic acid skeleton conjugated with one or more L-glutamic acid units (or derivative thereof).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Dihydrofolic acids and derivatives

Alternative Parents

Substituents

Dihydrofolic acid or derivatives
Glutamic acid or derivatives
N-acyl-alpha-amino acid
Acylaminobenzoic acid or derivatives
N-acyl-alpha amino acid or derivatives
Hippuric acid
Hippuric acid or derivatives
Alpha-amino acid or derivatives
Benzamide
Benzoic acid or derivatives
Anilide
Benzoyl
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Monocyclic benzene moiety
Pyrimidine
Benzenoid
Dicarboxylic acid or derivatives
Vinylogous amide
Heteroaromatic compound
Tertiary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Amino acid
Ketimine
Secondary carboxylic acid amide
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid derivative
Carboxylic acid
Secondary amine
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Amine
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Imine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dihydrofolic acids (CHEBI:15634 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0006485)
Extracellular (HMDB: HMDB0006485)

Organelle

Lysosome (HMDB: HMDB0006485)
Mitochondrion (HMDB: HMDB0006485)

Source

Endogenous

Endogenous (HMDB: HMDB0006485)

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

Not Available

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	0.1 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-2.4	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	2.96	ChemAxon
pKa (Strongest Basic)	3.51	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	215.88 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	124.49 m³·mol⁻¹	ChemAxon
Polarizability	44.82 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	208.667	31661259
DarkChem	[M-H]-	201.908	31661259
DeepCCS	[M+H]+	205.895	30932474
DeepCCS	[M-H]-	203.5	30932474
DeepCCS	[M-2H]-	236.384	30932474
DeepCCS	[M+Na]+	211.808	30932474
AllCCS	[M+H]+	201.7	32859911
AllCCS	[M+H-H2O]+	199.9	32859911
AllCCS	[M+NH4]+	203.3	32859911
AllCCS	[M+Na]+	203.8	32859911
AllCCS	[M-H]-	200.2	32859911
AllCCS	[M+Na-2H]-	200.8	32859911
AllCCS	[M+HCOO]-	201.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
10-Formyldihydrofolate	NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	5186.8	Standard polar	33892256
10-Formyldihydrofolate	NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	3926.6	Standard non polar	33892256
10-Formyldihydrofolate	NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1	5340.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
10-Formyldihydrofolate,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)C(=O)O	4733.3	Semi standard non polar	33892256
10-Formyldihydrofolate,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1	4711.8	Semi standard non polar	33892256
10-Formyldihydrofolate,1TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)[NH]1	4905.4	Semi standard non polar	33892256
10-Formyldihydrofolate,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4710.9	Semi standard non polar	33892256
10-Formyldihydrofolate,1TMS,isomer #5	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N)[NH]C2=O	4626.9	Semi standard non polar	33892256
10-Formyldihydrofolate,1TMS,isomer #6	C[Si](C)(C)N1C(N)=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C1=O	4779.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4525.0	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #10	C[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)[NH]1)[Si](C)(C)C	4712.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C	4793.5	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4665.1	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4605.2	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #14	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4575.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #15	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N)[NH]C2=O	4358.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #16	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C)C2=O	4568.0	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2)C(=O)[NH]1	4663.9	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4474.3	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O	4598.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4384.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4666.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4501.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1	4584.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1	4376.4	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4506.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4262.0	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	7607.1	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4189.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4151.1	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6810.9	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4382.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4192.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	6966.8	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1	4513.4	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1	4262.8	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1	7260.8	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4603.5	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4232.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	7322.5	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4467.6	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4163.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	7532.8	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4408.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4255.6	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	7137.1	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4398.9	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4026.0	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	7014.6	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4202.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4107.8	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6764.7	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	4369.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	4146.5	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	6889.4	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	4694.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	4345.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	7311.7	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4349.5	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4046.4	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	6958.6	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4486.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4223.0	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	7256.9	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #21	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4454.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #21	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4339.7	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #21	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	7036.9	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4580.5	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4196.9	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #22	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	7302.8	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4565.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4329.6	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #23	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6922.1	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4380.9	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4241.0	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	7125.5	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #25	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C)C2=O	4329.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #25	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C)C2=O	4131.6	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #25	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C)C2=O	6886.2	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4434.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4097.4	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	7079.2	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4228.4	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4157.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	6835.6	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	4509.9	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	4342.1	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	7344.2	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C	4610.6	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C	4313.0	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C	7402.7	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4447.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4209.8	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	7582.5	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4412.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4314.2	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	7212.3	Standard polar	33892256
10-Formyldihydrofolate,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4388.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4066.8	Standard non polar	33892256
10-Formyldihydrofolate,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	7063.5	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4389.9	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4282.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	6888.6	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4345.8	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4342.9	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	6686.8	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4429.8	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4186.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	6942.9	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4422.3	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4279.2	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6582.3	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4248.7	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4228.4	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	6783.0	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4216.9	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4107.0	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6592.9	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4344.6	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4216.5	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	6829.5	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1	4537.2	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1	4291.9	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1	6645.8	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1	4334.8	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1	4302.6	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1	6623.6	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4448.3	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4156.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	6904.3	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4423.1	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4243.3	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6521.7	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4472.6	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4210.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	6972.1	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4249.2	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4195.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	6745.9	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4224.9	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4084.5	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6555.4	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4494.9	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4264.9	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #22	C[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	6638.1	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #23	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4520.8	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #23	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4381.8	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #23	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	6459.3	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #24	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4279.3	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #24	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4308.3	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #24	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	6606.9	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4377.5	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4236.6	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6505.4	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4341.3	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	4175.5	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)[NH]1	7160.0	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4298.4	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4226.5	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	6793.0	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4292.6	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4018.3	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	6700.5	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4103.7	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4090.2	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6482.7	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4243.0	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4108.2	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	6620.8	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4330.0	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4257.0	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	6870.6	Standard polar	33892256
10-Formyldihydrofolate,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O	4544.1	Semi standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O	4356.9	Standard non polar	33892256
10-Formyldihydrofolate,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O	6714.4	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4272.2	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	4224.9	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)NC2)C=C1)[Si](C)(C)C	6480.7	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4431.9	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	4346.8	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O	6126.4	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4291.1	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4199.6	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6199.3	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4392.9	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4232.6	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	6253.9	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4203.3	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4268.9	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6258.7	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	4426.5	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	4317.4	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1	6077.3	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4294.9	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4183.4	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6170.5	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #16	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4361.1	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #16	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	4329.7	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #16	C[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C2)=NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O	6073.7	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4439.9	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	4266.0	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C	6288.0	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4274.8	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	4278.9	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C	6297.6	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4351.6	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	4140.8	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C	6574.1	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4321.0	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4190.5	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	6196.0	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4187.7	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	4168.2	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)CN2[Si](C)(C)C)C(=O)[NH]1	6417.1	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4156.4	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4058.1	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C)C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6325.9	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4386.3	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	4257.2	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C	6283.7	Standard polar	33892256
10-Formyldihydrofolate,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4206.5	Semi standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	4297.3	Standard non polar	33892256
10-Formyldihydrofolate,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)N([Si](C)(C)C)C2)C=C1)[Si](C)(C)C	6287.4	Standard polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)C(=O)O	4991.6	Semi standard non polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1	4952.1	Semi standard non polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)[NH]1	5068.7	Semi standard non polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4931.8	Semi standard non polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N)[NH]C2=O	4877.8	Semi standard non polar	33892256
10-Formyldihydrofolate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C1=O	4965.9	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4992.9	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	5110.2	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5179.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	5040.4	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	5011.2	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	5011.5	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)=NC2=C1N=C(N)[NH]C2=O	4871.6	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	5019.1	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2)C(=O)[NH]1	5063.3	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4949.7	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)C(=O)O	5062.4	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O	4912.0	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	5053.0	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4951.8	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1	5039.9	Semi standard non polar	33892256
10-Formyldihydrofolate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1	4895.2	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	5016.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	4784.5	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	7276.4	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	4876.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	4614.2	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	6616.0	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O	5076.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O	4673.9	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O	6713.6	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1	5104.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1	4796.3	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1	6957.1	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5175.4	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4760.9	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	6993.9	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	4999.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	4717.0	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	7219.1	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4978.9	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4780.1	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	6917.7	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	5041.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4549.7	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	6721.9	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	4875.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	4597.8	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)[Si](C)(C)C(C)(C)C	6593.4	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1	5057.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1	4645.5	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1	6666.5	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5268.2	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4844.7	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6937.7	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4957.4	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4551.8	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	6693.1	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	5080.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4750.8	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)[C@@H](CCC(=O)O)C(=O)O	6924.0	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	5072.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	4830.3	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O	6793.8	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5155.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4713.8	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	6953.9	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	5177.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	4823.1	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C	6669.9	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4986.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4756.2	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	6894.2	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	5024.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	4628.7	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(CN(C=O)C2=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C2)=NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	6653.7	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5062.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4598.5	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6767.3	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4894.0	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4627.5	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)[NH]C3=O)N([Si](C)(C)C(C)(C)C)C2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6642.2	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	5112.1	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	4857.9	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)NC2)C=C1)C(=O)O	7001.5	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	5186.2	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4815.3	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	7035.7	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	4996.7	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	4739.2	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)CN2)C(=O)[NH]1	7238.4	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4998.3	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4817.6	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	6959.0	Standard polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	5046.8	Semi standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	4560.0	Standard non polar	33892256
10-Formyldihydrofolate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(C=O)CC2=NC3=C(N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)NC2)C=C1)[Si](C)(C)C(C)(C)C	6743.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 10-Formyldihydrofolate GC-MS (Non-derivatized) - 70eV, Positive	splash10-002b-2677900000-d63b78529e7720c7d76b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10-Formyldihydrofolate GC-MS (2 TMS) - 70eV, Positive	splash10-00fr-7219863000-81e4d17f4e1531c8674c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10-Formyldihydrofolate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 10-Formyldihydrofolate 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 - 10-Formyldihydrofolate 10V, Positive-QTOF	splash10-0fb9-0300900000-ee4c7216428a12cfd298	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 20V, Positive-QTOF	splash10-004i-0646900000-d899d6171b33c5c8cf4e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 40V, Positive-QTOF	splash10-004r-0920000000-76564757defeef5f3508	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 10V, Negative-QTOF	splash10-00di-0000900000-f04c0efc195b89e2311c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 20V, Negative-QTOF	splash10-006w-0015900000-7cbcd449fe6a5c204951	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 40V, Negative-QTOF	splash10-0006-9651100000-2958845f39ef795999bb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 10V, Positive-QTOF	splash10-002f-0011900000-b591888bb7086b05e8a7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 20V, Positive-QTOF	splash10-004j-1769500000-82a205e02d66aff94cdf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 40V, Positive-QTOF	splash10-01rt-0931000000-cf525f4b0c5619cd2d92	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 10V, Negative-QTOF	splash10-00di-0000900000-b474b2540ed9386a184e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 20V, Negative-QTOF	splash10-00fr-1234900000-cf4b65124dd43d38b822	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10-Formyldihydrofolate 40V, Negative-QTOF	splash10-0fr6-5942300000-4aa8c668e5c2dc8e5924	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria
Lysosome

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

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

FDB023935

KNApSAcK ID

Not Available

Chemspider ID

147665

KEGG Compound ID

C03204

BioCyc ID

Not Available

BiGG ID

2304175

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

168809

PDB ID

Not Available

ChEBI ID

15634

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

Baram J, Chabner BA, Drake JC, Fitzhugh AL, Sholar PW, Allegra CJ: Identification and biochemical properties of 10-formyldihydrofolate, a novel folate found in methotrexate-treated cells. J Biol Chem. 1988 May 25;263(15):7105-11. [PubMed:3366769 ]

Showing metabocard for 10-Formyldihydrofolate (HMDB0006485)

MOL for HMDB0006485 (10-Formyldihydrofolate)

3D MOL for HMDB0006485 (10-Formyldihydrofolate)

3D SDF for HMDB0006485 (10-Formyldihydrofolate)

3D-SDF for HMDB0006485 (10-Formyldihydrofolate)

PDB for HMDB0006485 (10-Formyldihydrofolate)

3D PDB for HMDB0006485 (10-Formyldihydrofolate)

SMILES for HMDB0006485 (10-Formyldihydrofolate)

INCHI for HMDB0006485 (10-Formyldihydrofolate)

Structure for HMDB0006485 (10-Formyldihydrofolate)

3D Structure for HMDB0006485 (10-Formyldihydrofolate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra