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Showing metabocard for Vinclozolin (HMDB0259811)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 22:44:20 UTC
Update Date2022-11-23 22:29:21 UTC
HMDB IDHMDB0259811
Secondary Accession NumbersNone
Metabolite Identification
Common NameVinclozolin
DescriptionVinclozolin belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. Based on a literature review very few articles have been published on Vinclozolin. This compound has been identified in human blood as reported by (PMID: 31557052 ). Vinclozolin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Vinclozolin 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 HMDB0259811 (Vinclozolin)

  Mrv0541 04251301072D          

 18 19  0  0  0  0            999 V2000
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 Cl  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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
Download

3D MOL for HMDB0259811 (Vinclozolin)

HMDB0259811
     RDKit          3D
VINCLOZOLIN
 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.7929    1.0160    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602   -0.2499    0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764   -0.5790    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390   -0.3175   -1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -1.8867    0.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764   -1.9025    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -2.9055   -0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.5781    0.4582 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -0.1239    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514   -0.5266   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -0.0828   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -0.5952   -2.1031 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1143    0.7672    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.1527    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368    2.2385    2.4307 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    0.7213    1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268    0.2105    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    1.2765    1.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437    1.8219    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7387    1.2653    1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1536   -1.0204    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628   -0.8343   -1.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978    0.7650   -1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.6549   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071   -1.1885   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1356    1.1316    0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    1.0794    2.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  8 17  1  0
 17 18  2  0
 17  3  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  4 22  1  0
  4 23  1  0
  4 24  1  0
 10 25  1  0
 13 26  1  0
 16 27  1  0
M  END
Download

3D SDF for HMDB0259811 (Vinclozolin)

  Mrv0541 04251301072D          

 18 19  0  0  0  0            999 V2000
    1.1270   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -3.6695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -4.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -5.3493    0.0000 Cl  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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259811

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3

> <INCHI_KEY>
FSCWZHGZWWDELK-UHFFFAOYSA-N

> <FORMULA>
C12H9Cl2NO3

> <MOLECULAR_WEIGHT>
286.111

> <EXACT_MASS>
284.995948573

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
26.193033458615048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione

> <ALOGPS_LOGP>
3.14

> <JCHEM_LOGP>
3.7446360003333328

> <ALOGPS_LOGS>
-3.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.282967397384969

> <JCHEM_POLAR_SURFACE_AREA>
46.61

> <JCHEM_REFRACTIVITY>
67.00150000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.57e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vinclozolin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0259811 (Vinclozolin)

HMDB0259811
     RDKit          3D
VINCLOZOLIN
 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.7929    1.0160    1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602   -0.2499    0.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764   -0.5790    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390   -0.3175   -1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -1.8867    0.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764   -1.9025    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -2.9055   -0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.5781    0.4582 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -0.1239    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514   -0.5266   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -0.0828   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -0.5952   -2.1031 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1143    0.7672    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.1527    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368    2.2385    2.4307 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    0.7213    1.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268    0.2105    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    1.2765    1.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1437    1.8219    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7387    1.2653    1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1536   -1.0204    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628   -0.8343   -1.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978    0.7650   -1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.6549   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071   -1.1885   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1356    1.1316    0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    1.0794    2.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  8 17  1  0
 17 18  2  0
 17  3  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  4 22  1  0
  4 23  1  0
  4 24  1  0
 10 25  1  0
 13 26  1  0
 16 27  1  0
M  END
Download

PDB for HMDB0259811 (Vinclozolin)

HEADER    PROTEIN                                 25-APR-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-13         0                                  
HETATM    1  N   UNK     0       2.104  -4.680   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.564  -4.680   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.088  -3.215   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.580  -3.215   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.044  -2.739   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.578  -0.968   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.362   0.357   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.090  -0.968   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.342  -5.926   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.009  -5.926   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.540  -5.765   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.446  -7.011   0.000  0.00  0.00           C+0
HETATM   14 Cl   UNK     0       6.977  -6.850   0.000  0.00  0.00          Cl+0
HETATM   15  C   UNK     0       4.819  -8.418   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.288  -8.578   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.382  -7.333   0.000  0.00  0.00           C+0
HETATM   18 Cl   UNK     0       2.661  -9.985   0.000  0.00  0.00          Cl+0
CONECT    1    2    5   11                                                  
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7    9                                             
CONECT    5    4    1    6                                                  
CONECT    6    5                                                            
CONECT    7    4    8                                                       
CONECT    8    7                                                            
CONECT    9    4                                                            
CONECT   10    2                                                            
CONECT   11    1   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16   11                                                       
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END
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3D PDB for HMDB0259811 (Vinclozolin)

COMPND    HMDB0259811
HETATM    1  C1  UNL     1      -3.793   1.016   1.002  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.460  -0.250   0.839  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.176  -0.579   0.221  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.139  -0.318  -1.268  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.746  -1.887   0.434  1.00  0.00           O  
HETATM    6  C5  UNL     1      -0.376  -1.903   0.234  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.325  -2.906  -0.090  1.00  0.00           O  
HETATM    8  N1  UNL     1       0.108  -0.578   0.458  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.451  -0.124   0.367  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.251  -0.527  -0.682  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.562  -0.083  -0.776  1.00  0.00           C  
HETATM   12 CL1  UNL     1       4.575  -0.595  -2.103  1.00  0.00          CL  
HETATM   13  C9  UNL     1       4.114   0.767   0.161  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.279   1.153   1.206  1.00  0.00           C  
HETATM   15 CL2  UNL     1       3.937   2.238   2.431  1.00  0.00          CL  
HETATM   16  C11 UNL     1       1.978   0.721   1.313  1.00  0.00           C  
HETATM   17  C12 UNL     1      -1.027   0.211   0.795  1.00  0.00           C  
HETATM   18  O3  UNL     1      -0.997   1.276   1.411  1.00  0.00           O  
HETATM   19  H1  UNL     1      -3.144   1.822   0.690  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.739   1.265   1.457  1.00  0.00           H  
HETATM   21  H3  UNL     1      -4.154  -1.020   1.172  1.00  0.00           H  
HETATM   22  H4  UNL     1      -2.963  -0.834  -1.768  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.198   0.765  -1.476  1.00  0.00           H  
HETATM   24  H6  UNL     1      -1.121  -0.655  -1.624  1.00  0.00           H  
HETATM   25  H7  UNL     1       1.907  -1.188  -1.463  1.00  0.00           H  
HETATM   26  H8  UNL     1       5.136   1.132   0.108  1.00  0.00           H  
HETATM   27  H9  UNL     1       1.409   1.079   2.166  1.00  0.00           H  
CONECT    1    2    2   19   20
CONECT    2    3   21
CONECT    3    4    5   17
CONECT    4   22   23   24
CONECT    5    6
CONECT    6    7    7    8
CONECT    8    9   17
CONECT    9   10   10   16
CONECT   10   11   25
CONECT   11   12   13   13
CONECT   13   14   26
CONECT   14   15   16   16
CONECT   16   27
CONECT   17   18   18
END
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SMILES for HMDB0259811 (Vinclozolin)

CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
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INCHI for HMDB0259811 (Vinclozolin)

InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dioneMeSH
RonilanMeSH
Chemical FormulaC12H9Cl2NO3
Average Molecular Weight286.111
Monoisotopic Molecular Weight284.995948573
IUPAC Name3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
Traditional Namevinclozolin
CAS Registry NumberNot Available
SMILES
CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
InChI Identifier
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
InChI KeyFSCWZHGZWWDELK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassHalobenzenes
Direct ParentDichlorobenzenes
Alternative Parents
Substituents
  • 1,3-dichlorobenzene
  • Oxazolidinedione
  • Aryl chloride
  • Aryl halide
  • Oxazolidinone
  • Dicarboximide
  • Oxazolidine
  • Carbamic acid ester
  • Carbonic acid derivative
  • Carboxylic acid derivative
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Carbonyl group
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
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 ID36278
KEGG Compound IDC10981
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkVinclozolin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID83732
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 ]