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Showing metabocard for Fenson (HMDB0252223)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:04:24 UTC
Update Date2021-09-26 23:04:39 UTC
HMDB IDHMDB0252223
Secondary Accession NumbersNone
Metabolite Identification
Common NameFenson
Description This compound has been identified in human blood as reported by (PMID: 31557052 ). Fenson is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Fenson 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 HMDB0252223 (Fenson)

  Mrv1533007141517482D          

 17 18  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  2  0  0  0  0
 17 15  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
Download

3D MOL for HMDB0252223 (Fenson)

HMDB0252223
     RDKit          3D
Fenson
 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0166    0.8790   -1.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -0.3706   -1.4299 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9888   -1.2147   -2.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452   -1.2112   -0.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -0.7396   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    0.1138    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    0.5898    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4663    0.2346   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1026    0.8394    0.1252 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1238   -0.6075   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468   -1.0932   -1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -0.0074   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790   -0.8839   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1967   -0.6331    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2597    0.5598    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    1.4487    1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    1.1661    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163    0.3984    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184    1.2597    1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822   -0.9203   -1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614   -1.7565   -2.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -1.8145   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0195   -1.3465    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118    0.8159    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472    2.3935    1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.9001    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11  5  1  0
 17 12  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 11 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 16 25  1  0
 17 26  1  0
M  END
Download

3D SDF for HMDB0252223 (Fenson)

  Mrv1533007141517482D          

 17 18  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  2  0  0  0  0
 17 15  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252223

> <DATABASE_NAME>
hmdb

> <SMILES>
ClC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H

> <INCHI_KEY>
SPJOZZSIXXJYBT-UHFFFAOYSA-N

> <FORMULA>
C12H9ClO3S

> <MOLECULAR_WEIGHT>
268.71

> <EXACT_MASS>
267.996093

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
25.088736870386782

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-chlorophenyl benzenesulfonate

> <ALOGPS_LOGP>
3.16

> <JCHEM_LOGP>
3.7941163803333326

> <ALOGPS_LOGS>
-3.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
65.74520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.99e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-chlorophenyl benzenesulfonate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252223 (Fenson)

HMDB0252223
     RDKit          3D
Fenson
 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0166    0.8790   -1.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -0.3706   -1.4299 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.9888   -1.2147   -2.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452   -1.2112   -0.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -0.7396   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865    0.1138    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    0.5898    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4663    0.2346   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1026    0.8394    0.1252 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1238   -0.6075   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468   -1.0932   -1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0293   -0.0074   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790   -0.8839   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1967   -0.6331    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2597    0.5598    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2074    1.4487    1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    1.1661    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163    0.3984    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7184    1.2597    1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822   -0.9203   -1.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614   -1.7565   -2.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -1.8145   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0195   -1.3465    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118    0.8159    1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472    2.3935    1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.9001    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 11  5  1  0
 17 12  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 11 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 16 25  1  0
 17 26  1  0
M  END
Download

PDB for HMDB0252223 (Fenson)

HEADER    PROTEIN                                 14-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-JUL-15         0                                  
HETATM    1  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   13 Cl   UNK     0      13.337   9.240   0.000  0.00  0.00          Cl+0
HETATM   14  O   UNK     0       9.542   4.620   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       6.462   4.620   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   17  S   UNK     0       8.002   4.620   0.000  0.00  0.00           S+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2   12                                                       
CONECT    5    3   12                                                       
CONECT    6    8   10                                                       
CONECT    7    9   10                                                       
CONECT    8    6   11                                                       
CONECT    9    7   11                                                       
CONECT   10    6    7   13                                                  
CONECT   11    8    9   16                                                  
CONECT   12    4    5   17                                                  
CONECT   13   10                                                            
CONECT   14   17                                                            
CONECT   15   17                                                            
CONECT   16   11   17                                                       
CONECT   17   12   14   15   16                                             
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END
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3D PDB for HMDB0252223 (Fenson)

COMPND    HMDB0252223
HETATM    1  O1  UNL     1       0.017   0.879  -1.939  1.00  0.00           O  
HETATM    2  S1  UNL     1      -0.614  -0.371  -1.430  1.00  0.00           S  
HETATM    3  O2  UNL     1      -0.989  -1.215  -2.615  1.00  0.00           O  
HETATM    4  O3  UNL     1       0.545  -1.211  -0.510  1.00  0.00           O  
HETATM    5  C1  UNL     1       1.839  -0.740  -0.370  1.00  0.00           C  
HETATM    6  C2  UNL     1       2.186   0.114   0.669  1.00  0.00           C  
HETATM    7  C3  UNL     1       3.468   0.590   0.821  1.00  0.00           C  
HETATM    8  C4  UNL     1       4.466   0.235  -0.063  1.00  0.00           C  
HETATM    9 CL1  UNL     1       6.103   0.839   0.125  1.00  0.00          CL  
HETATM   10  C5  UNL     1       4.124  -0.607  -1.090  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.847  -1.093  -1.256  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.029  -0.007  -0.451  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.079  -0.884  -0.382  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.197  -0.633   0.370  1.00  0.00           C  
HETATM   15  C10 UNL     1      -4.260   0.560   1.090  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.207   1.449   1.027  1.00  0.00           C  
HETATM   17  C12 UNL     1      -2.097   1.166   0.260  1.00  0.00           C  
HETATM   18  H1  UNL     1       1.416   0.398   1.366  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.718   1.260   1.646  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.882  -0.920  -1.820  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.561  -1.756  -2.058  1.00  0.00           H  
HETATM   22  H5  UNL     1      -3.047  -1.814  -0.934  1.00  0.00           H  
HETATM   23  H6  UNL     1      -5.019  -1.347   0.409  1.00  0.00           H  
HETATM   24  H7  UNL     1      -5.112   0.816   1.701  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.247   2.394   1.591  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.275   1.900   0.234  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4   12
CONECT    4    5
CONECT    5    6    6   11
CONECT    6    7   18
CONECT    7    8    8   19
CONECT    8    9   10
CONECT   10   11   11   20
CONECT   11   21
CONECT   12   13   13   17
CONECT   13   14   22
CONECT   14   15   15   23
CONECT   15   16   24
CONECT   16   17   17   25
CONECT   17   26
END
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SMILES for HMDB0252223 (Fenson)

ClC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1
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INCHI for HMDB0252223 (Fenson)

InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
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Synonyms
ValueSource
4-Chlorophenyl benzenesulfonateMeSH
P-Chlorophenyl benzenesulfonateMeSH
Chemical FormulaC12H9ClO3S
Average Molecular Weight268.71
Monoisotopic Molecular Weight267.996093
IUPAC Name4-chlorophenyl benzenesulfonate
Traditional Name4-chlorophenyl benzenesulfonate
CAS Registry NumberNot Available
SMILES
ClC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1
InChI Identifier
InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
InChI KeySPJOZZSIXXJYBT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonic acids and derivatives
Direct ParentBenzenesulfonate esters
Alternative Parents
Substituents
  • Benzenesulfonate ester
  • Arylsulfonic acid or derivatives
  • Benzenesulfonyl group
  • Phenoxy compound
  • Chlorobenzene
  • Halobenzene
  • Organosulfonic acid ester
  • Aryl chloride
  • Aryl halide
  • Sulfonyl
  • Organosulfonic acid or derivatives
  • Organic sulfonic acid or derivatives
  • Organosulfur compound
  • Organooxygen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
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
PropertyValueSource
logP3.16ALOGPS
logP3.79ChemAxon
logS-4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area43.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity65.75 m³·mol⁻¹ChemAxon
Polarizability25.09 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 IDFDB018487
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC19030
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6636
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 ]