MiMeDB: Showing metabocard for Trehalose (MMDBc0000177)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:38:42 UTC

Update Date

2022-08-30 23:59:44 UTC

Metabolite ID

MMDBc0000177

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>
MMDBc0000177

> <DATABASE_NAME>
MIME

> <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

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

Molecular Formula

C₁₂H₂₂O₁₁

Average Mass

342.2965

Monoisotopic Mass

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 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-2e5f22e6ba282283a569	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9832000000-b3259de2e25ea7293565	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wos-0921000000-68fb82f427417ec703a0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (8 TMS)	splash10-0j4l-0954000000-33e230d28780be607983	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-2e5f22e6ba282283a569	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9832000000-b3259de2e25ea7293565	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0wos-0921000000-68fb82f427417ec703a0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0j4l-0954000000-33e230d28780be607983	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0i2d-0921000000-9e633378baf1645df2a1	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-08ni-9554000000-e418bec346785e269084	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-014i-2553419000-dd0bea0ade3ee46308dc	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-03di-1901000000-865e9e390fac7d13c2f8	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-000i-9500000000-7d4c9de285c2872d2320	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-000i-9000000000-c71f25d08b875caff6b6	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0006-0019000000-3b4e276ff5686c841bdd	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0fdx-8905000000-fafde7828ce0d63fe618	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0fdx-8905000000-f4b4b3ad528ea3bf43c2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-004i-0900000000-d382926500274fb84a46	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , positive	splash10-0udi-0090000000-10524d7a715f8a0ed265	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0006-0019000000-3b4e276ff5686c841bdd	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-9ae5587f61124e19e967	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-052r-9400000000-912468a68a25ec147569	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01t9-0926000000-b1b3f8b4fbacdcc1180f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0ab9-9200000000-0088f187ae8b6d9b5c2e	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0ab9-9200000000-8437afa67780c28771b8	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0006-5809000000-5a5cec80f792fdde61bb	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-01q9-0900000000-c4415a0eb58b8c1c5640	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01t9-0926000000-af9f579519c642acb94f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9300000000-197e82f358194cd04b3c	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01q9-3593000000-97d3b3b35a65f632fddd	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03ec-0903000000-8981579ae1dd58ba65c9	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1901000000-4c8ec381daa00b88a539	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-5900000000-89485b49a32afa256bdc	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002f-4918000000-df3152da1740bcb45d3d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03mi-3901000000-c9e67703b1ef9ca4f8cc	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002f-9600000000-b9d2971c377f79dd6238	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-022c-9100000000-33d1067ccb0cb2dda51d	2018-05-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Epidermis
Feces
Fibroblasts
Kidney
Platelet
Skeletal Muscle
Urine

Tissue Locations

Epidermis
Fibroblasts
Kidney
Platelet
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192041	Trehalase	Enzyme	O43280	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0002269	Water	D-Glucose	Not Available	Alpha, Alpha-Trehalase	VMH	30371894
MMDBr0002270	Water	D-Glucose	Trehalase (brush-border membrane glycoprotein)	Alpha, Alpha-Trehalase	VMH	30371894
MMDBr0006158	Trehalose	Trehalose	Not Available	Transport of Trehalose, Reversible	VMH	30371894
MMDBr0006978	Phosphoenolpyruvic acid	Pyruvic acid	Not Available	Trehalose transport via PEP:Pyr PTS	VMH	30371894
MMDBr0007982	Water	Phosphate	Not Available	Trehalose-phosphatase	VMH	30371894
MMDBr0008064	Adenosine triphosphate	ADP	Not Available	Trehalose transport via ABC system	VMH	30371894
MMDBr0008331	Trehalose	D-Maltose	Not Available	Maltose trehalose isomerase	VMH	30371894
MMDBr0013394	D-Maltose	Trehalose	Trehalose synthase/amylase TreS	Synthesis	RHEA	34755880
MMDBr0013515	Trehalose	alpha-D-Glucose	Trehalose phosphorylase	Phosphorylation	RHEA	34755880
MMDBr0014331	alpha,alpha-Trehalose 6-phosphate	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation; Synthesis	RHEA	34755880
MMDBr0014332	alpha,alpha-Trehalose 6-phosphate	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation	RHEA	34755880
MMDBr0014339	alpha,alpha'-trehalose 6-mycolic acid	alpha,alpha'-trehalose 6,6'-bismycolic acid	Diacylglycerol acyltransferase/mycolyltransferase Ag85A	Acylation	RHEA	34755880
MMDBr0014345	Trehalose	beta-D-Glucose 1-phosphate	Alpha,alpha-trehalose phosphorylase	Phosphorylation	RHEA	34755880
MMDBr0015806	Phosphoadenosine phosphosulfate	2-O-sulfo-alpha,alpha-trehalose	Trehalose 2-sulfotransferase	Sulfonation	RHEA	34755880
MMDBr0015968	Trehalose	2-O-hexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0015969	Trehalose	2-O-hexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0018601	Water	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0018602	Glycogen	Trehalose	Glycogen debranching enzyme		PathBank	31602464
MMDBr0018603	Trehalose	D-Glucose	Cytoplasmic trehalase	Hydrolysis	PathBank	31602464
MMDBr0018604	Trehalose	D-Glucose	Periplasmic trehalase	Hydrolysis	PathBank	31602464
MMDBr0019338	Water	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0019900	Water	Trehalose	Trehalose-phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0019901	Trehalose	D-Glucose	Cytosolic neutral trehalase	Hydrolysis	PathBank	31602464
MMDBr0024892	Water	D-Glucose	Trehalase 1	Hydrolysis	RHEA	34755880
MMDBr0024909	Trehalose	L-Histidine	PTS system trehalose-specific EIIBC component		RHEA	34755880
MMDBr0025266	D-Glucose	Hydrogen Ion	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0025652	Trehalose	CoA	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0025653	Trehalose	CoA	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0026105	CDPglucose	Uridine 5'-diphosphate	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026106	ADP-alpha-D-glucose	Adenosine diphosphate	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026107	GDP-alpha-D-glucose	Guanosine 3',5'-bis(diphosphate)	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026108	UDP-alpha-D-glucose	Uridine 5'-diphosphate	Trehalose synthase	Synthesis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	629	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces; Human vaginal fluid; Human stool; Human urine; Human dental plaque; Human pleural fluid plaque; Pig ; Human sputum; Cattle	Microbial culture; Metabolic reconstruction
Bacteria	Bacteroidetes	140	Human saliva; Human stool; Human feces; Human ; Human urine; Human subgingival plaque; Human appendix biopsy	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	9	Human feces; Human saliva; Human supragingival plaque	Microbial culture; Unknown
Bacteria	Deinococcus-thermus	4		Microbial culture
Bacteria	Actinobacteria	214	Human feces; Human stool; Human ; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Microbial culture; Metabolic reconstruction
Bacteria	Thermotogae	1		Microbial culture
Bacteria	Proteobacteria	284	Human ; Human feces; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human supragingival plaque; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Archaea	Euryarchaeota	5	Human feces	Microbial culture; Metabolic reconstruction
Archaea	Crenarchaeota	2	Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Chloroflexi	1		Microbial culture
Bacteria	Spirochaetes	5	Human feces	Microbial culture; Metabolic reconstruction
Bacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	9	Human feces; Human ; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	3	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	3	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	3
Archaea/Archaea	Euryarchaeota	1	Human feces	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Microsporidia	1
Archaea/Archaea	nah	1

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Animal	Laminaria	FooDB	31437929
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant		FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant		FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant		FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant		FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant		FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant		FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	22944170
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Cryptosporidium infection	HMDB	22944170
Human Urine	Detected and Quantified	5.298	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	5.298	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Epidermis	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	22944170
Human Blood	Detected but not Quantified						HMDB

External Links

HMDB ID

HMDB0000975

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

References

Synthesis Reference

Not Available

General References

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. doi: 10.1159/000240771. [PubMed:241430 ]
Corning BF, Murphy JC, Fox JG: Group G streptococcal lymphadenitis in rats. J Clin Microbiol. 1991 Dec;29(12):2720-3. doi: 10.1128/jcm.29.12.2720-2723.1991. [PubMed:1757539 ]
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. doi: 10.1128/jcm.28.10.2220-2223.1990. [PubMed:2229345 ]
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. doi: 10.1128/jcm.27.7.1646-1649.1989. [PubMed:2768451 ]
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. doi: 10.1016/s0923-2508(99)00105-9. [PubMed:10577485 ]
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. doi: 10.1038/72608. [PubMed:10657121 ]
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. doi: 10.1038/72616. [PubMed:10657122 ]
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. doi: 10.1016/s0923-2508(00)01150-5. [PubMed:11191809 ]
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. doi: 10.1073/pnas.142314099. Epub 2002 Jul 8. [PubMed:12105274 ]
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. doi: 10.1007/s10856-005-6444-2. [PubMed:15754142 ]
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. doi: 10.1111/j.0041-1132.2005.04288.x. [PubMed:15819685 ]
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 (Reading). 2005 May;151(Pt 5):1443-1452. doi: 10.1099/mic.0.27791-0. [PubMed:15870454 ]
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. doi: 10.1002/jps.20364. [PubMed:15920775 ]
Nie Y, de Pablo JJ, Palecek SP: Platelet cryopreservation using a trehalose and phosphate formulation. Biotechnol Bioeng. 2005 Oct 5;92(1):79-90. doi: 10.1002/bit.20577. [PubMed:15937943 ]
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. doi: 10.1016/j.cryobiol.2005.04.007. [PubMed:15963489 ]
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. doi: 10.1007/s11095-005-5262-z. Epub 2005 Aug 3. [PubMed:16078146 ]
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. doi: 10.1128/JCM.43.8.4107-4111.2005. [PubMed:16081957 ]
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. doi: 10.1093/hmg/ddi422. Epub 2005 Nov 25. [PubMed:16311254 ]
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 ]
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 ]

Showing metabocard for Trehalose (MMDBc0000177)

MOL for #<Metabolite:0x00007f5abc193d90>

3D MOL for #<Metabolite:0x00007f5abc193d90>

3D SDF for #<Metabolite:0x00007f5abc193d90>

3D-SDF for #<Metabolite:0x00007f5abc193d90>

PDB for #<Metabolite:0x00007f5abc193d90>

3D PDB for #<Metabolite:0x00007f5abc193d90>

SMILES for #<Metabolite:0x00007f5abc193d90>

INCHI for #<Metabolite:0x00007f5abc193d90>

Structure for #<Metabolite:0x00007f5abc193d90>

3D Structure for #<Metabolite:0x00007f5abc193d90>