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Showing metabocard for Fenproporex (HMDB0252218)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:04:05 UTC
Update Date2021-09-26 23:04:39 UTC
HMDB IDHMDB0252218
Secondary Accession NumbersNone
Metabolite Identification
Common NameFenproporex
DescriptionFenproporex, also known as fenorex or ifa diety, belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. It is sometimes combined with benzodiazepines, antidepressants, and other compounds to create a version of the "rainbow diet pill". Fenproporex is a very strong basic compound (based on its pKa). Fenproporex has never been approved by the US Food and Drug Administration (FDA) for sale in the US due to lack of efficacy and safety data. Fenproporex (Perphoxene) is a stimulant drug of the phenethylamine and amphetamine chemical classes that was developed in the 1960s. It is used as an appetite suppressant for the treatment of obesity. However, in March 2009, the FDA warned consumers that it has been detected as an unlabeled component of diet pills available over the Internet. Fenproporex is on the list of substances banned by the World Anti-Doping Agency, and any sportsperson testing positive for the substance faces a ban from competition. Fenproporex is designated a Schedule IV controlled substance in the US pursuant to the Controlled Substances Act. Fenproporex produces amphetamine as a metabolite and was withdrawn in many countries following problems with abuse, but it is still prescribed in some countries. This compound has been identified in human blood as reported by (PMID: 31557052 ). Fenproporex is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Fenproporex 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 HMDB0252218 (Fenproporex)

1550
  Mrv0541 02231215332D          

 14 14  0  0  1  0            999 V2000
    3.0788    0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    2.8873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2 14  3  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0252218 (Fenproporex)

HMDB0252218
     RDKit          3D
Fenproporex
 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.7441    1.1633    1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    0.2952    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054    1.0867    0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411    0.3674    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248   -0.5274    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -1.1839    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369   -0.9918   -0.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.1147   -1.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957    0.5484   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123   -0.1052   -0.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -0.9610   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143   -0.6467   -1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0146   -0.4786    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090   -0.3585    1.2028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481    1.7178    0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260    0.6330    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354    2.0132    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853   -0.6238    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    1.3554    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904    2.0522    0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456   -0.6696    2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035   -1.8784    1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855   -1.5196   -1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096    0.0627   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.2298   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.6436   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752   -1.1465   -2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -2.0257   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -1.4504   -1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373    0.2408   -1.7065 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  3  0
  9  4  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END
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3D SDF for HMDB0252218 (Fenproporex)

1550
  Mrv0541 02231215332D          

 14 14  0  0  1  0            999 V2000
    3.0788    0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    2.8873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2 14  3  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252218

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC1=CC=CC=C1)NCCC#N

> <INCHI_IDENTIFIER>
InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3

> <INCHI_KEY>
IQUFSXIQAFPIMR-UHFFFAOYSA-N

> <FORMULA>
C12H16N2

> <MOLECULAR_WEIGHT>
188.2688

> <EXACT_MASS>
188.131348522

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
22.036433201168098

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(1-phenylpropan-2-yl)amino]propanenitrile

> <ALOGPS_LOGP>
2.14

> <JCHEM_LOGP>
2.0097757866666663

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.881537675753346

> <JCHEM_POLAR_SURFACE_AREA>
35.82

> <JCHEM_REFRACTIVITY>
58.24310000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.84e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fenproporex

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0252218 (Fenproporex)

HMDB0252218
     RDKit          3D
Fenproporex
 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.7441    1.1633    1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    0.2952    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054    1.0867    0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411    0.3674    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248   -0.5274    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -1.1839    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369   -0.9918   -0.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.1147   -1.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0957    0.5484   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123   -0.1052   -0.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -0.9610   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3143   -0.6467   -1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0146   -0.4786    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090   -0.3585    1.2028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481    1.7178    0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260    0.6330    2.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2354    2.0132    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853   -0.6238    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    1.3554    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904    2.0522    0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456   -0.6696    2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035   -1.8784    1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855   -1.5196   -1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096    0.0627   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.2298   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.6436   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752   -1.1465   -2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -2.0257   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -1.4504   -1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373    0.2408   -1.7065 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  3  0
  9  4  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  8 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END
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PDB for HMDB0252218 (Fenproporex)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1550                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       5.747   1.540   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0       9.748   5.390   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.747   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.413  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.413  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.081  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.081   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.747  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.080  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.081   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.747  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.080  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.413  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.414   4.620   0.000  0.00  0.00           C+0
CONECT    1    3    7                                                       
CONECT    2   14                                                            
CONECT    3    1    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4    8    9                                                  
CONECT    6    3                                                            
CONECT    7    1   10                                                       
CONECT    8    5   11                                                       
CONECT    9    5   12                                                       
CONECT   10    7   14                                                       
CONECT   11    8   13                                                       
CONECT   12    9   13                                                       
CONECT   13   11   12                                                       
CONECT   14    2   10                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END
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3D PDB for HMDB0252218 (Fenproporex)

COMPND    HMDB0252218
HETATM    1  C1  UNL     1      -1.744   1.163   1.502  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.708   0.295   0.844  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.605   1.087   0.898  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.741   0.367   0.304  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.525  -0.527   1.040  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.591  -1.184   0.467  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.937  -0.992  -0.853  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.174  -0.115  -1.586  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.096   0.548  -1.005  1.00  0.00           C  
HETATM   10  N1  UNL     1      -0.912  -0.105  -0.464  1.00  0.00           N  
HETATM   11  C10 UNL     1      -1.867  -0.961  -0.965  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.314  -0.647  -1.016  1.00  0.00           C  
HETATM   13  C12 UNL     1      -4.015  -0.479   0.217  1.00  0.00           C  
HETATM   14  N2  UNL     1      -4.609  -0.358   1.203  1.00  0.00           N  
HETATM   15  H1  UNL     1      -2.348   1.718   0.762  1.00  0.00           H  
HETATM   16  H2  UNL     1      -2.326   0.633   2.272  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.235   2.013   2.081  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.585  -0.624   1.500  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.757   1.355   1.968  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.390   2.052   0.386  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.246  -0.670   2.074  1.00  0.00           H  
HETATM   22  H8  UNL     1       4.204  -1.878   1.031  1.00  0.00           H  
HETATM   23  H9  UNL     1       4.786  -1.520  -1.295  1.00  0.00           H  
HETATM   24  H10 UNL     1       3.410   0.063  -2.621  1.00  0.00           H  
HETATM   25  H11 UNL     1       1.550   1.230  -1.643  1.00  0.00           H  
HETATM   26  H12 UNL     1      -0.658   0.644  -1.184  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.575  -1.147  -2.070  1.00  0.00           H  
HETATM   28  H14 UNL     1      -1.786  -2.026  -0.549  1.00  0.00           H  
HETATM   29  H15 UNL     1      -3.890  -1.450  -1.589  1.00  0.00           H  
HETATM   30  H16 UNL     1      -3.437   0.241  -1.706  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   10   18
CONECT    3    4   19   20
CONECT    4    5    5    9
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9    9   24
CONECT    9   25
CONECT   10   11   26
CONECT   11   12   27   28
CONECT   12   13   29   30
CONECT   13   14   14   14
END
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SMILES for HMDB0252218 (Fenproporex)

CC(CC1=CC=CC=C1)NCCC#N
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INCHI for HMDB0252218 (Fenproporex)

InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
FenorexKegg
Fenproporex monohydrochlorideMeSH
Fenproporex monohydrochloride, (+-)-isomerMeSH
Ifa dietyMeSH
Fenproporex, (+-)-isomerMeSH
Chemical FormulaC12H16N2
Average Molecular Weight188.2688
Monoisotopic Molecular Weight188.131348522
IUPAC Name3-[(1-phenylpropan-2-yl)amino]propanenitrile
Traditional Namefenproporex
CAS Registry NumberNot Available
SMILES
CC(CC1=CC=CC=C1)NCCC#N
InChI Identifier
InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
InChI KeyIQUFSXIQAFPIMR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentAmphetamines and derivatives
Alternative Parents
Substituents
  • Amphetamine or derivatives
  • Phenylpropane
  • Aralkylamine
  • Secondary amine
  • Nitrile
  • Carbonitrile
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 IDDB01550
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 LinkFenproporex
METLIN IDNot Available
PubChem Compound61810
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 ]