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Showing metabocard for 3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid (HMDB0255411)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 15:02:46 UTC
Update Date2021-09-26 23:10:10 UTC
HMDB IDHMDB0255411
Secondary Accession NumbersNone
Metabolite Identification
Common Name3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid
Description3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review very few articles have been published on 3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 3-[(1r,2r,3s)-3-carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

  Mrv1652309112117032D          

 15 15  0  0  0  0            999 V2000
    2.2074    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    1.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666    1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791    2.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8844    3.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    3.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    1.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 14  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
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3D MOL for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

HMDB0255411
     RDKit          3D
3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6237   -0.9748    0.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -0.0307    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    1.1266   -0.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -0.1870    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287   -1.4086    1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719   -0.0723   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -1.1381   -1.5367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -0.3049   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -0.3304   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    0.7389    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    0.3891    1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3767    1.1613    2.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -0.8350    1.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    2.0093    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    1.7976    1.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442    1.7640   -0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1664    0.5925    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -2.0601    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    0.8552   -1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836   -1.1742   -1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383   -1.2877    0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    0.3202   -2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3565   -0.9511    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15 10  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 13 23  1  0
M  END
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3D SDF for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

  Mrv1652309112117032D          

 15 15  0  0  0  0            999 V2000
    2.2074    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    1.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    3.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666    1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791    2.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8844    3.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9218    3.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    1.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 14  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0255411

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(C(O)C(O)=O)C(O)C1(OO1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O9/c7-1(2(8)4(10)11)3(9)6(5(12)13)14-15-6/h1-3,7-9H,(H,10,11)(H,12,13)

> <INCHI_KEY>
ANVLMUZOIWITMQ-UHFFFAOYSA-N

> <FORMULA>
C6H8O9

> <MOLECULAR_WEIGHT>
224.121

> <EXACT_MASS>
224.016831838

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
17.147255132213658

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(3-carboxy-1,2,3-trihydroxypropyl)dioxirane-3-carboxylic acid

> <ALOGPS_LOGP>
-1.46

> <JCHEM_LOGP>
-1.781091428

> <ALOGPS_LOGS>
-0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.0917091223729147

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2089706368465167

> <JCHEM_PKA_STRONGEST_BASIC>
-3.775375644904295

> <JCHEM_POLAR_SURFACE_AREA>
160.35

> <JCHEM_REFRACTIVITY>
37.252

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.07e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(3-carboxy-1,2,3-trihydroxypropyl)dioxirane-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

HMDB0255411
     RDKit          3D
3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6237   -0.9748    0.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -0.0307    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2538    1.1266   -0.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -0.1870    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2287   -1.4086    1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719   -0.0723   -0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -1.1381   -1.5367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -0.3049   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -0.3304   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    0.7389    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    0.3891    1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3767    1.1613    2.1425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -0.8350    1.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    2.0093    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8126    1.7976    1.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442    1.7640   -0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1664    0.5925    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -2.0601    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    0.8552   -1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7836   -1.1742   -1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383   -1.2877    0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351    0.3202   -2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3565   -0.9511    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15 10  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       4.120   3.807   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.787   4.577   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.453   3.807   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.119   4.577   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.453   2.267   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       2.787   6.117   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.454   4.577   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.788   3.807   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.778   2.627   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.261   2.359   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.778   4.986   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.294   4.719   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       7.251   6.433   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.454   6.117   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       4.120   2.267   0.000  0.00  0.00           O+0
CONECT    1    2    7   15                                                  
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    1    8   14                                                  
CONECT    8    7    9   10   11                                             
CONECT    9    8   10                                                       
CONECT   10    9    8                                                       
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    7                                                            
CONECT   15    1                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

COMPND    HMDB0255411
HETATM    1  O1  UNL     1      -3.624  -0.975   0.341  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.829  -0.031   0.102  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.254   1.127  -0.548  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.420  -0.187   0.536  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.229  -1.409   1.157  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.472  -0.072  -0.664  1.00  0.00           C  
HETATM    7  O4  UNL     1      -0.796  -1.138  -1.537  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.939  -0.305  -0.228  1.00  0.00           C  
HETATM    9  O5  UNL     1       1.817  -0.330  -1.337  1.00  0.00           O  
HETATM   10  C5  UNL     1       1.495   0.739   0.695  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.782   0.389   1.340  1.00  0.00           C  
HETATM   12  O6  UNL     1       3.377   1.161   2.142  1.00  0.00           O  
HETATM   13  O7  UNL     1       3.355  -0.835   1.051  1.00  0.00           O  
HETATM   14  O8  UNL     1       1.553   2.009   0.073  1.00  0.00           O  
HETATM   15  O9  UNL     1       0.813   1.798   1.113  1.00  0.00           O  
HETATM   16  H1  UNL     1      -3.844   1.764  -0.028  1.00  0.00           H  
HETATM   17  H2  UNL     1      -1.166   0.593   1.260  1.00  0.00           H  
HETATM   18  H3  UNL     1      -1.890  -2.060   0.792  1.00  0.00           H  
HETATM   19  H4  UNL     1      -0.652   0.855  -1.206  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.784  -1.174  -1.562  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.038  -1.288   0.250  1.00  0.00           H  
HETATM   22  H7  UNL     1       1.435   0.320  -2.008  1.00  0.00           H  
HETATM   23  H8  UNL     1       4.357  -0.951   0.976  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   16
CONECT    4    5    6   17
CONECT    5   18
CONECT    6    7    8   19
CONECT    7   20
CONECT    8    9   10   21
CONECT    9   22
CONECT   10   11   14   15
CONECT   11   12   12   13
CONECT   13   23
CONECT   14   15
END
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SMILES for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

OC(C(O)C(O)=O)C(O)C1(OO1)C(O)=O
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INCHI for HMDB0255411 (3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid)

InChI=1S/C6H8O9/c7-1(2(8)4(10)11)3(9)6(5(12)13)14-15-6/h1-3,7-9H,(H,10,11)(H,12,13)
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Synonyms
ValueSource
3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylateGenerator
Chemical FormulaC6H8O9
Average Molecular Weight224.121
Monoisotopic Molecular Weight224.016831838
IUPAC Name3-(3-carboxy-1,2,3-trihydroxypropyl)dioxirane-3-carboxylic acid
Traditional Name3-(3-carboxy-1,2,3-trihydroxypropyl)dioxirane-3-carboxylic acid
CAS Registry NumberNot Available
SMILES
OC(C(O)C(O)=O)C(O)C1(OO1)C(O)=O
InChI Identifier
InChI=1S/C6H8O9/c7-1(2(8)4(10)11)3(9)6(5(12)13)14-15-6/h1-3,7-9H,(H,10,11)(H,12,13)
InChI KeyANVLMUZOIWITMQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Hydroperoxy fatty acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Alpha-hydroxy acid
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Fatty acid
  • Monosaccharide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Dioxirane
  • Polyol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76054794
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]