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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:07 UTC

HMDB ID

HMDB0000975

Secondary Accession Numbers

HMDB00975

Metabolite Identification

Common Name

Trehalose

Description

Trehalose, also known as mycose, is a 1-alpha (disaccharide) sugar found extensively but not abundantly in nature. It is thought to be implicated in anhydrobiosis - the ability of plants and animals to withstand prolonged periods of desiccation. The sugar is thought to form a gel phase as cells dehydrate, which prevents disruption of internal cell organelles by effectively splinting them in position. Rehydration then allows normal cellular activity to be resumed without the major, generally lethal damage that would normally follow a dehydration/reyhdration cycle. Trehalose is a non-reducing sugar formed from two glucose units joined by a 1-1 alpha bond giving it the name of alpha-D-glucopyranoglucopyranosyl-1,1-alpha-D-glucopyranoside. The bonding makes trehalose very resistant to acid hydrolysis, and therefore stable in solution at high temperatures even under acidic conditions. The bonding also keeps non-reducing sugars in closed-ring form, such that the aldehyde or ketone end-groups do not bind to the lysine or arginine residues of proteins (a process called glycation). The enzyme trehalase, present but not abundant in most people, breaks it into two glucose molecules, which can then be readily absorbed in the gut. Trehalose is an important components of insects circulating fluid. It acts as a storage form of insect circulating fluid and it is important in respiration. Trehalose has also been found to be a metabolite of Burkholderia, Escherichia and Propionibacterium (PMID:12105274 ; PMID:25479689 ) (krishikosh.egranth.ac.in/bitstream/1/84382/1/88571%20P-1257.pdf).

Structure

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

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

  Mrv1652307292023312D          

 23 24  0  0  1  0            999 V2000
    1.0717    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.0312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2151    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2151   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0716   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5006   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0716    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  3  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  2  1  6  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  1  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 21 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 20 22  1  1  0  0  0
 23 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000975

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

> <INCHI_KEY>
HDTRYLNUVZCQOY-LIZSDCNHSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.139303678846364

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.427499300678097

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.9058964768732

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981084769765199

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α,α'-trehalose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 29-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUL-20         0                                  
HETATM    1  C   UNK     0       2.001   1.155   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.667   1.925   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.334   1.925   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.334   3.465   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.668   1.155   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.002   1.925   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.668  -0.385   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.002  -1.155   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.334  -1.155   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.001  -0.385   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.334  -2.695   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.668  -3.465   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.667   1.155   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.667  -0.385   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.667  -1.155   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.000  -1.155   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.000  -2.695   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.334  -0.385   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.668  -1.155   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.334   1.155   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.000   1.925   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.668   1.925   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.002   1.155   0.000  0.00  0.00           O+0
CONECT    1    2    3   10                                                  
CONECT    2    1   13                                                       
CONECT    3    1    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    1    9                                                       
CONECT   11    9   12                                                       
CONECT   12   11                                                            
CONECT   13    2   14   21                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   13   20                                                       
CONECT   22   20   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000975
HETATM    1  O1  UNL     1       2.145   0.806   3.601  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.917   1.016   2.435  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.892  -0.334   1.705  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.622  -0.682   1.398  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.035  -0.081   0.324  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.171  -0.969  -0.273  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.156  -0.588  -0.224  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.715  -0.362  -1.473  1.00  0.00           O  
HETATM    9  C5  UNL     1      -2.826   0.458  -1.342  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.472   1.930  -1.586  1.00  0.00           C  
HETATM   11  O5  UNL     1      -1.966   2.122  -2.852  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.459   0.385   0.014  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.811   0.722  -0.122  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.418  -1.035   0.554  1.00  0.00           C  
HETATM   15  O7  UNL     1      -3.908  -1.003   1.879  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.003  -1.540   0.584  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.895  -2.851   0.139  1.00  0.00           O  
HETATM   18  C10 UNL     1       1.950   0.477  -0.701  1.00  0.00           C  
HETATM   19  O9  UNL     1       1.356   0.335  -1.955  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.281  -0.234  -0.776  1.00  0.00           C  
HETATM   21  O10 UNL     1       4.093   0.515  -1.622  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.887  -0.397   0.595  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.714  -1.534   0.671  1.00  0.00           O  
HETATM   24  H1  UNL     1       1.197   0.965   3.432  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.956   1.149   2.777  1.00  0.00           H  
HETATM   26  H3  UNL     1       2.517   1.825   1.827  1.00  0.00           H  
HETATM   27  H4  UNL     1       3.256  -1.066   2.489  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.419   0.778   0.724  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.174   0.392   0.317  1.00  0.00           H  
HETATM   30  H7  UNL     1      -3.608   0.220  -2.096  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.824   2.309  -0.772  1.00  0.00           H  
HETATM   32  H9  UNL     1      -3.436   2.477  -1.513  1.00  0.00           H  
HETATM   33  H10 UNL     1      -2.753   2.125  -3.482  1.00  0.00           H  
HETATM   34  H11 UNL     1      -3.035   1.111   0.742  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.413   0.015   0.178  1.00  0.00           H  
HETATM   36  H13 UNL     1      -4.084  -1.664  -0.071  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.778  -1.898   2.263  1.00  0.00           H  
HETATM   38  H15 UNL     1      -1.610  -1.534   1.631  1.00  0.00           H  
HETATM   39  H16 UNL     1      -1.620  -2.937  -0.797  1.00  0.00           H  
HETATM   40  H17 UNL     1       2.156   1.567  -0.582  1.00  0.00           H  
HETATM   41  H18 UNL     1       1.439  -0.587  -2.314  1.00  0.00           H  
HETATM   42  H19 UNL     1       3.175  -1.244  -1.227  1.00  0.00           H  
HETATM   43  H20 UNL     1       4.988   0.675  -1.266  1.00  0.00           H  
HETATM   44  H21 UNL     1       4.584   0.482   0.727  1.00  0.00           H  
HETATM   45  H22 UNL     1       4.214  -2.319   1.031  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9
CONECT    9   10   12   30
CONECT   10   11   31   32
CONECT   11   33
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(GLC)2	ChEBI
alpha,Alpha'-trehalose	ChEBI
alpha-D-GLCP-(11)-alpha-D-GLCP	ChEBI
alpha-D-Glucopyranosyl-alpha-D-glucopyranoside	ChEBI
alpha-D-Trehalose	ChEBI
alpha-Trehalose	ChEBI
D-(+)-Trehalose	ChEBI
Ergot sugar	ChEBI
Mycose	ChEBI
a,Alpha'-trehalose	Generator
Α,alpha'-trehalose	Generator
a-D-GLCP-(11)-a-D-GLCP	Generator
Α-D-GLCP-(11)-α-D-GLCP	Generator
a-D-Glucopyranosyl-a-D-glucopyranoside	Generator
Α-D-glucopyranosyl-α-D-glucopyranoside	Generator
a-D-Trehalose	Generator
Α-D-trehalose	Generator
a-Trehalose	Generator
Α-trehalose	Generator
alpha,alpha-Trehalose	HMDB
D-Trehalose-anhydrous	HMDB
delta-Trehalose-anhydrous	HMDB
D-Trehalose	HMDB
Natural trehalose	HMDB
O-D-Glucopyranosyl-(1→1)-D-glucopyranoside	HMDB
alpha,Alpha'-D-trehalose	HMDB
alpha-D-Glucopyranosyl alpha-D-glucopyranoside	HMDB
Α,α'-D-trehalose	HMDB
Α,α-trehalose	HMDB
Α,α’-D-trehalose	HMDB
Α-D-glucopyranosyl α-D-glucopyranoside	HMDB
Trehalose	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

Traditional Name

α,α'-trehalose

CAS Registry Number

99-20-7

SMILES

OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

InChI Key

HDTRYLNUVZCQOY-LIZSDCNHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

trehalose (CHEBI:16551 )
Disaccharides (C01083 )

Ontology

Not Available

Fibroblast (HMDB: HMDB0000975)

Hematocyte

Platelet (HMDB: HMDB0000975)

Tissue substructure

Muscle (HMDB: HMDB0000975)

Cellular substructure

Extracellular (HMDB: HMDB0000975)

Excreta

Biofluid or Excreta

Feces (HMDB: HMDB0000975)
Urine (HMDB: HMDB0000975)

Organ

Kidney (HMDB: HMDB0000975)

Tissue

Epithelium

Epidermis (HMDB: HMDB0000975)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0000975)

Source

Endogenous

Endogenous (HMDB: HMDB0000975)

Plant

Plant (HMDB: HMDB0000975)
Cucurbitaceae (HMDB: HMDB0000975)

Microbe

Microbe (HMDB: HMDB0000975)
Escherichia coli (HMDB: HMDB0000975)
Burkholderia stabilis (HMDB: HMDB0000975)
Propionibacterium (HMDB: HMDB0000975)

Exogenous

Food

Food (HMDB: HMDB0000975)

Animal origin

Poultry

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Nut

Peanut (FooDB: FOOD00016)
Cashew nut (FooDB: FOOD00011)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)
Nuts (FooDB: FOOD00869)

Vegetable

Cabbage

Onion-family vegetable

Allium (FooDB: FOOD00005)
Garden onion (FooDB: FOOD00006)
Leek (FooDB: FOOD00007)
Garden onion (var.) (FooDB: FOOD00226)
Shallot (FooDB: FOOD00243)
Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Onion-family vegetables (FooDB: FOOD00855)

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruits (FooDB: FOOD00871)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Trehalose Degradation (HMDB: HMDB0000975)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0000975)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	203 °C	Not Available
Boiling Point	586.70 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-1.650 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Astarita_neg	166.7	30932474
[M-H]-	Not Available	169.9	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000416

Predicted Molecular Properties

Property	Value	Source
Water Solubility	592 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.24	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	31.14 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	174.637	31661259
DarkChem	[M-H]-	174.171	31661259
AllCCS	[M+H]+	176.306	32859911
AllCCS	[M-H]-	174.376	32859911
DeepCCS	[M+H]+	171.349	30932474
DeepCCS	[M-H]-	169.24	30932474
DeepCCS	[M-2H]-	202.813	30932474
DeepCCS	[M+Na]+	177.123	30932474
AllCCS	[M+H]+	176.3	32859911
AllCCS	[M+H-H2O]+	173.5	32859911
AllCCS	[M+NH4]+	178.9	32859911
AllCCS	[M+Na]+	179.6	32859911
AllCCS	[M-H]-	174.4	32859911
AllCCS	[M+Na-2H]-	173.9	32859911
AllCCS	[M+HCOO]-	173.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Trehalose	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3879.2	Standard polar	33892256
Trehalose	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3232.7	Standard non polar	33892256
Trehalose	OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2989.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Trehalose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2783.2	Semi standard non polar	33892256
Trehalose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2781.4	Semi standard non polar	33892256
Trehalose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	2784.2	Semi standard non polar	33892256
Trehalose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	2793.5	Semi standard non polar	33892256
Trehalose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2798.6	Semi standard non polar	33892256
Trehalose,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2786.0	Semi standard non polar	33892256
Trehalose,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	2777.8	Semi standard non polar	33892256
Trehalose,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Trehalose,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	2774.1	Semi standard non polar	33892256
Trehalose,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2780.1	Semi standard non polar	33892256
Trehalose,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2786.0	Semi standard non polar	33892256
Trehalose,2TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2783.3	Semi standard non polar	33892256
Trehalose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2782.3	Semi standard non polar	33892256
Trehalose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2774.3	Semi standard non polar	33892256
Trehalose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2786.9	Semi standard non polar	33892256
Trehalose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2783.1	Semi standard non polar	33892256
Trehalose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2780.0	Semi standard non polar	33892256
Trehalose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2794.6	Semi standard non polar	33892256
Trehalose,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2786.0	Semi standard non polar	33892256
Trehalose,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2778.8	Semi standard non polar	33892256
Trehalose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2665.8	Semi standard non polar	33892256
Trehalose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2679.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2676.7	Semi standard non polar	33892256
Trehalose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2686.4	Semi standard non polar	33892256
Trehalose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2672.1	Semi standard non polar	33892256
Trehalose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.9	Semi standard non polar	33892256
Trehalose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2694.2	Semi standard non polar	33892256
Trehalose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2677.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2702.9	Semi standard non polar	33892256
Trehalose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2673.8	Semi standard non polar	33892256
Trehalose,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2727.4	Semi standard non polar	33892256
Trehalose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2654.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2726.7	Semi standard non polar	33892256
Trehalose,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	2715.3	Semi standard non polar	33892256
Trehalose,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2708.4	Semi standard non polar	33892256
Trehalose,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2722.8	Semi standard non polar	33892256
Trehalose,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2706.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2716.2	Semi standard non polar	33892256
Trehalose,3TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2706.2	Semi standard non polar	33892256
Trehalose,3TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	2712.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2704.7	Semi standard non polar	33892256
Trehalose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2659.5	Semi standard non polar	33892256
Trehalose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2668.7	Semi standard non polar	33892256
Trehalose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2683.2	Semi standard non polar	33892256
Trehalose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2685.4	Semi standard non polar	33892256
Trehalose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.6	Semi standard non polar	33892256
Trehalose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Trehalose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2667.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2618.0	Semi standard non polar	33892256
Trehalose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2624.8	Semi standard non polar	33892256
Trehalose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2651.8	Semi standard non polar	33892256
Trehalose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2632.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.5	Semi standard non polar	33892256
Trehalose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2636.0	Semi standard non polar	33892256
Trehalose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2622.7	Semi standard non polar	33892256
Trehalose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2623.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2636.4	Semi standard non polar	33892256
Trehalose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2635.7	Semi standard non polar	33892256
Trehalose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.1	Semi standard non polar	33892256
Trehalose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.4	Semi standard non polar	33892256
Trehalose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2637.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.1	Semi standard non polar	33892256
Trehalose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2648.5	Semi standard non polar	33892256
Trehalose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2650.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2611.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2626.4	Semi standard non polar	33892256
Trehalose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2628.5	Semi standard non polar	33892256
Trehalose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2645.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2609.2	Semi standard non polar	33892256
Trehalose,4TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2653.6	Semi standard non polar	33892256
Trehalose,4TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2673.1	Semi standard non polar	33892256
Trehalose,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2695.2	Semi standard non polar	33892256
Trehalose,4TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2648.0	Semi standard non polar	33892256
Trehalose,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	2679.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2680.7	Semi standard non polar	33892256
Trehalose,4TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2655.1	Semi standard non polar	33892256
Trehalose,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2638.4	Semi standard non polar	33892256
Trehalose,4TMS,isomer #38	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2668.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2610.9	Semi standard non polar	33892256
Trehalose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2613.6	Semi standard non polar	33892256
Trehalose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2606.7	Semi standard non polar	33892256
Trehalose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2606.0	Semi standard non polar	33892256
Trehalose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2628.3	Semi standard non polar	33892256
Trehalose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2586.3	Semi standard non polar	33892256
Trehalose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2628.9	Semi standard non polar	33892256
Trehalose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2629.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2639.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2662.7	Semi standard non polar	33892256
Trehalose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Trehalose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2663.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2671.2	Semi standard non polar	33892256
Trehalose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.6	Semi standard non polar	33892256
Trehalose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2632.2	Semi standard non polar	33892256
Trehalose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.0	Semi standard non polar	33892256
Trehalose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2616.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2653.6	Semi standard non polar	33892256
Trehalose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2641.8	Semi standard non polar	33892256
Trehalose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2655.1	Semi standard non polar	33892256
Trehalose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Trehalose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.4	Semi standard non polar	33892256
Trehalose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2638.7	Semi standard non polar	33892256
Trehalose,5TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2662.7	Semi standard non polar	33892256
Trehalose,5TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2690.2	Semi standard non polar	33892256
Trehalose,5TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Trehalose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2642.6	Semi standard non polar	33892256
Trehalose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2623.4	Semi standard non polar	33892256
Trehalose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2610.6	Semi standard non polar	33892256
Trehalose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.6	Semi standard non polar	33892256
Trehalose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.4	Semi standard non polar	33892256
Trehalose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2611.4	Semi standard non polar	33892256
Trehalose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2600.0	Semi standard non polar	33892256
Trehalose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2630.4	Semi standard non polar	33892256
Trehalose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2653.3	Semi standard non polar	33892256
Trehalose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
Trehalose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2676.8	Semi standard non polar	33892256
Trehalose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2675.7	Semi standard non polar	33892256
Trehalose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Semi standard non polar	33892256
Trehalose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2655.9	Semi standard non polar	33892256
Trehalose,6TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2675.3	Semi standard non polar	33892256
Trehalose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2645.3	Semi standard non polar	33892256
Trehalose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2645.1	Semi standard non polar	33892256
Trehalose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.7	Semi standard non polar	33892256
Trehalose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2646.3	Semi standard non polar	33892256
Trehalose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.3	Semi standard non polar	33892256
Trehalose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2633.7	Semi standard non polar	33892256
Trehalose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2637.6	Semi standard non polar	33892256
Trehalose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2627.5	Semi standard non polar	33892256
Trehalose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2668.8	Semi standard non polar	33892256
Trehalose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Trehalose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2685.5	Semi standard non polar	33892256
Trehalose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2679.6	Semi standard non polar	33892256
Trehalose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3020.2	Semi standard non polar	33892256
Trehalose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3023.3	Semi standard non polar	33892256
Trehalose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	3024.3	Semi standard non polar	33892256
Trehalose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3034.1	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3201.7	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3261.8	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	3238.6	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3241.6	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	3243.6	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3256.0	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3253.7	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3272.8	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3227.0	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3222.9	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3238.4	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3240.6	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3231.5	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3239.1	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3250.4	Semi standard non polar	33892256
Trehalose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	3243.6	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3371.1	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3407.6	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3399.4	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.8	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3418.8	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3406.1	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3410.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3404.7	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.3	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.7	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3410.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3367.7	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3410.9	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	3409.2	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3407.6	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3427.6	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3418.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3417.9	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3416.9	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3424.9	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3434.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3373.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3379.5	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3376.1	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3406.4	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3394.9	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.4	Semi standard non polar	33892256
Trehalose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3395.5	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3529.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3536.1	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3548.2	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3551.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3544.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3547.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3542.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3560.6	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3553.0	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3526.0	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3559.8	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3562.9	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.1	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3569.8	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3561.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3564.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3563.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3558.4	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3562.9	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3537.9	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3568.6	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3559.7	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3561.5	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3557.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3577.9	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3574.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3572.9	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3567.1	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3587.6	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3534.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3530.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3534.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.1	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3542.3	Semi standard non polar	33892256
Trehalose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-2e5f22e6ba282283a569	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9832000000-b3259de2e25ea7293565	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wos-0921000000-68fb82f427417ec703a0	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-MS (8 TMS)	splash10-0j4l-0954000000-33e230d28780be607983	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-2e5f22e6ba282283a569	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-00di-9832000000-b3259de2e25ea7293565	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0wos-0921000000-68fb82f427417ec703a0	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-MS (Non-derivatized)	splash10-0j4l-0954000000-33e230d28780be607983	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Trehalose GC-EI-TOF (Non-derivatized)	splash10-0i2d-0921000000-9e633378baf1645df2a1	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalose GC-MS (Non-derivatized) - 70eV, Positive	splash10-08ni-9554000000-e418bec346785e269084	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalose GC-MS (4 TMS) - 70eV, Positive	splash10-014i-2553419000-dd0bea0ade3ee46308dc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trehalose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-022c-9100000000-33d1067ccb0cb2dda51d	2018-05-25	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-1901000000-865e9e390fac7d13c2f8	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-000i-9500000000-7d4c9de285c2872d2320	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-000i-9000000000-c71f25d08b875caff6b6	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOF	splash10-0006-0019000000-3b4e276ff5686c841bdd	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOF	splash10-0fdx-8905000000-fafde7828ce0d63fe618	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose LC-ESI-QTOF , negative-QTOF	splash10-0fdx-8905000000-f4b4b3ad528ea3bf43c2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose , negative-QTOF	splash10-004i-0900000000-d382926500274fb84a46	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose LC-ESI-ITFT , positive-QTOF	splash10-0udi-0090000000-10524d7a715f8a0ed265	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose LC-ESI-QTOF , positive-QTOF	splash10-0006-0019000000-3b4e276ff5686c841bdd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 40V, Negative-QTOF	splash10-0a4i-9000000000-9ae5587f61124e19e967	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 20V, Negative-QTOF	splash10-052r-9400000000-912468a68a25ec147569	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 10V, Positive-QTOF	splash10-01t9-0926000000-b1b3f8b4fbacdcc1180f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 40V, Positive-QTOF	splash10-0ab9-9200000000-0088f187ae8b6d9b5c2e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 40V, Negative-QTOF	splash10-0ab9-9200000000-8437afa67780c28771b8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 10V, Negative-QTOF	splash10-0006-5809000000-5a5cec80f792fdde61bb	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 20V, Positive-QTOF	splash10-01q9-0900000000-c4415a0eb58b8c1c5640	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 10V, Positive-QTOF	splash10-01t9-0926000000-af9f579519c642acb94f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 40V, Positive-QTOF	splash10-000i-9300000000-197e82f358194cd04b3c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trehalose 10V, Positive-QTOF	splash10-01q9-3593000000-97d3b3b35a65f632fddd	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 10V, Positive-QTOF	splash10-03ec-0903000000-8981579ae1dd58ba65c9	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 20V, Positive-QTOF	splash10-03di-1901000000-4c8ec381daa00b88a539	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 40V, Positive-QTOF	splash10-03dl-5900000000-89485b49a32afa256bdc	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 10V, Negative-QTOF	splash10-002f-4918000000-df3152da1740bcb45d3d	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 20V, Negative-QTOF	splash10-03mi-3901000000-c9e67703b1ef9ca4f8cc	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trehalose 40V, Negative-QTOF	splash10-002f-9600000000-b9d2971c377f79dd6238	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-04	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, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Feces
Urine

Tissue Locations

Epidermis
Fibroblasts
Kidney
Platelet
Skeletal Muscle

Pathways

Name	SMPDB/PathBank	KEGG
Trehalose Degradation		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	22944170	details
Urine	Detected and Quantified	5.298 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cryptosporidium infection	22944170	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB12310

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

16551

Food Biomarker Ontology

Not Available

VMH ID

TRE

MarkerDB ID

Not Available

Good Scents ID

rw1701121

References

Synthesis Reference

Murao, Sawao; Nagano, Hiroto; Ogura, Sei; Nishino, Toyokazu. Enzymic synthesis of trehalose from maltose. Agricultural and Biological Chemistry (1985), 49(7), 2113-18.

Material Safety Data Sheet (MSDS)

Not Available

General References

Kandror O, DeLeon A, Goldberg AL: Trehalose synthesis is induced upon exposure of Escherichia coli to cold and is essential for viability at low temperatures. Proc Natl Acad Sci U S A. 2002 Jul 23;99(15):9727-32. Epub 2002 Jul 8. [PubMed:12105274 ]
Potier M, Dallaire L, Melancon SB: Occurrence and properties of fetal intestinal glycosidases (disaccharidases) in human amniotic fluid. Biol Neonate. 1975;27(3-4):141-52. [PubMed:241430 ]
Citron DM, Baron EJ, Finegold SM, Goldstein EJ: Short prereduced anaerobically sterilized (PRAS) biochemical scheme for identification of clinical isolates of bile-resistant Bacteroides species. J Clin Microbiol. 1990 Oct;28(10):2220-3. [PubMed:2229345 ]
Yoshioka S, Aso Y: A quantitative assessment of the significance of molecular mobility as a determinant for the stability of lyophilized insulin formulations. Pharm Res. 2005 Aug;22(8):1358-64. Epub 2005 Aug 3. [PubMed:16078146 ]
Guo N, Puhlev I, Brown DR, Mansbridge J, Levine F: Trehalose expression confers desiccation tolerance on human cells. Nat Biotechnol. 2000 Feb;18(2):168-71. [PubMed:10657122 ]
Nie Y, de Pablo JJ, Palecek SP: Platelet cryopreservation using a trehalose and phosphate formulation. Biotechnol Bioeng. 2005 Oct 5;92(1):79-90. [PubMed:15937943 ]
Fujita Y, Naka T, Doi T, Yano I: Direct molecular mass determination of trehalose monomycolate from 11 species of mycobacteria by MALDI-TOF mass spectrometry. Microbiology. 2005 May;151(Pt 5):1443-52. [PubMed:15870454 ]
Lu FQ, Liu JH, Ouyang XL, Li XJ, Zhou J, Zhuang Y: [Process of human platelets loaded with rehalose before lyophilization]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2006 Feb;14(1):156-61. [PubMed:16584614 ]
Shirkhanzadeh M: Microneedles coated with porous calcium phosphate ceramics: effective vehicles for transdermal delivery of solid trehalose. J Mater Sci Mater Med. 2005 Jan;16(1):37-45. [PubMed:15754142 ]
Eroglu A, Russo MJ, Bieganski R, Fowler A, Cheley S, Bayley H, Toner M: Intracellular trehalose improves the survival of cryopreserved mammalian cells. Nat Biotechnol. 2000 Feb;18(2):163-7. [PubMed:10657121 ]
Arguelles JC, Rodriguez T, Alvarez-Peral FJ: Trehalose hydrolysis is not required for human serum-induced dimorphic transition in Candida albicans: evidence from a tps1/tps1 mutant deficient in trehalose synthesis. Res Microbiol. 1999 Oct;150(8):521-9. [PubMed:10577485 ]
Corning BF, Murphy JC, Fox JG: Group G streptococcal lymphadenitis in rats. J Clin Microbiol. 1991 Dec;29(12):2720-3. [PubMed:1757539 ]
Davies JE, Sarkar S, Rubinsztein DC: Trehalose reduces aggregate formation and delays pathology in a transgenic mouse model of oculopharyngeal muscular dystrophy. Hum Mol Genet. 2006 Jan 1;15(1):23-31. Epub 2005 Nov 25. [PubMed:16311254 ]
Ma X, Jamil K, Macrae TH, Clegg JS, Russell JM, Villeneuve TS, Euloth M, Sun Y, Crowe JH, Tablin F, Oliver AE: A small stress protein acts synergistically with trehalose to confer desiccation tolerance on mammalian cells. Cryobiology. 2005 Aug;51(1):15-28. [PubMed:15963489 ]
Alcoba-Florez J, Mendez-Alvarez S, Cano J, Guarro J, Perez-Roth E, del Pilar Arevalo M: Phenotypic and molecular characterization of Candida nivariensis sp. nov., a possible new opportunistic fungus. J Clin Microbiol. 2005 Aug;43(8):4107-11. [PubMed:16081957 ]
Chang L, Shepherd D, Sun J, Ouellette D, Grant KL, Tang XC, Pikal MJ: Mechanism of protein stabilization by sugars during freeze-drying and storage: native structure preservation, specific interaction, and/or immobilization in a glassy matrix? J Pharm Sci. 2005 Jul;94(7):1427-44. [PubMed:15920775 ]
Sasnoor LM, Kale VP, Limaye LS: A combination of catalase and trehalose as additives to conventional freezing medium results in improved cryoprotection of human hematopoietic cells with reference to in vitro migration and adhesion properties. Transfusion. 2005 Apr;45(4):622-33. [PubMed:15819685 ]
Alvarez-Peral FJ, Arguelles JC: Changes in external trehalase activity during human serum-induced dimorphic transition in Candida albicans. Res Microbiol. 2000 Dec;151(10):837-43. [PubMed:11191809 ]
Berlutti F, Thaller MC, Dainelli B, Pezzi R: T-mod pathway, a reduced sequence for identification of gram-negative urinary tract pathogens. J Clin Microbiol. 1989 Jul;27(7):1646-9. [PubMed:2768451 ]
Habe H, Sato S, Morita T, Fukuoka T, Kirimura K, Kitamoto D: Bacterial production of short-chain organic acids and trehalose from levulinic acid: a potential cellulose-derived building block as a feedstock for microbial production. Bioresour Technol. 2015 Feb;177:381-6. doi: 10.1016/j.biortech.2014.11.048. Epub 2014 Nov 18. [PubMed:25479689 ]

Enzymes

Enzyme Details

1. Trehalase

General function:: Involved in catalytic activity
Specific function:: Intestinal trehalase is probably involved in the hydrolysis of ingested trehalose.
Gene Name:: TREH
Uniprot ID:: O43280
Molecular weight:: 66567.26

Reactions

Trehalose + Water → D-Glucose + alpha-D-Glucose	details
Trehalose + Water → D-Glucose	details

Showing metabocard for Trehalose (HMDB0000975)

MOL for HMDB0000975 (Trehalose)

3D MOL for HMDB0000975 (Trehalose)

3D SDF for HMDB0000975 (Trehalose)

3D-SDF for HMDB0000975 (Trehalose)

PDB for HMDB0000975 (Trehalose)

3D PDB for HMDB0000975 (Trehalose)

SMILES for HMDB0000975 (Trehalose)

INCHI for HMDB0000975 (Trehalose)

Structure for HMDB0000975 (Trehalose)

3D Structure for HMDB0000975 (Trehalose)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions