Hmdb loader
Survey

Showing metabocard for cis-Mevinphos (HMDB0250292)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:17:43 UTC
Update Date2021-09-26 23:01:40 UTC
HMDB IDHMDB0250292
Secondary Accession NumbersNone
Metabolite Identification
Common Namecis-Mevinphos
DescriptionMevinphos, also known as phosdrin, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on Mevinphos. This compound has been identified in human blood as reported by (PMID: 31557052 ). Cis-mevinphos is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically cis-Mevinphos 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250292 (cis-Mevinphos)


  Mrv1652307282022212D          

 14 13  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  4  0  0  0
  5  6  2  0  0  0  0
  6  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
  6 14  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250292 (cis-Mevinphos)

HMDB0254693
     RDKit          3D
Mevinphos
 27 26  0  0  0  0  0  0  0  0999 V2000
    4.7220    0.7532    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.2876    0.7581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    1.1063    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6889    2.3205    0.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    0.5975    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -0.6544    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -1.6695    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -1.0861   -0.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -0.1688    0.5800 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.4529    0.4595    1.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764   -1.1820    0.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081   -1.8447   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    1.0492   -0.5389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2790    1.8473   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055    1.8507    0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508    0.2316    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9349    0.5499    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    1.3056   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262   -1.4144    1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -1.7630    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2632   -2.6782    0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6473   -2.2085   -0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026   -1.1633   -1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181   -2.7504   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6181    1.6176    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.6940   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699    2.9132   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 14 25  1  0
 14 26  1  0
 14 27  1  0
M  END
Download

3D SDF for HMDB0250292 (cis-Mevinphos)


  Mrv1652307282022212D          

 14 13  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  4  0  0  0
  5  6  2  0  0  0  0
  6  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
  6 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250292

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)C=C(C)OP(=O)(OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3

> <INCHI_KEY>
GEPDYQSQVLXLEU-UHFFFAOYSA-N

> <FORMULA>
C7H13O6P

> <MOLECULAR_WEIGHT>
224.1483

> <EXACT_MASS>
224.04497466

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.765687308182567

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
0.49615788733333316

> <ALOGPS_LOGS>
-1.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.893758521803863

> <JCHEM_POLAR_SURFACE_AREA>
71.06

> <JCHEM_REFRACTIVITY>
49.69480000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
menite

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250292 (cis-Mevinphos)

HMDB0254693
     RDKit          3D
Mevinphos
 27 26  0  0  0  0  0  0  0  0999 V2000
    4.7220    0.7532    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.2876    0.7581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3936    1.1063    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6889    2.3205    0.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0590    0.5975    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -0.6544    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -1.6695    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585   -1.0861   -0.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -0.1688    0.5800 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.4529    0.4595    1.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764   -1.1820    0.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081   -1.8447   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    1.0492   -0.5389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2790    1.8473   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055    1.8507    0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4508    0.2316    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9349    0.5499    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    1.3056   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262   -1.4144    1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -1.7630    0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2632   -2.6782    0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6473   -2.2085   -0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026   -1.1633   -1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181   -2.7504   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6181    1.6176    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.6940   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699    2.9132   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 14 25  1  0
 14 26  1  0
 14 27  1  0
M  END
Download

PDB for HMDB0250292 (cis-Mevinphos)

HEADER    PROTEIN                                 28-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-JUL-20         0                                  
HETATM    1  O   UNK     0       1.540   2.667   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.850   1.334   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.770  -1.334   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      -2.310  -1.334   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      -3.850  -1.334   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.620  -2.667   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.310   0.206   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.644   0.976   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.310  -2.874   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11   13                                             
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11                                                            
CONECT   13    8                                                            
CONECT   14    6                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
Download

3D PDB for HMDB0250292 (cis-Mevinphos)

COMPND    HMDB0250292
HETATM    1  C1  UNL     1       4.280   1.594  -0.498  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.010   1.199  -0.916  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.370   0.053  -0.405  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.002  -0.599   0.451  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.047  -0.270  -0.907  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.423  -1.323  -0.458  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.016  -2.215   0.559  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.847  -1.636  -0.939  1.00  0.00           O  
HETATM    9  P1  UNL     1      -2.147  -0.821  -0.168  1.00  0.00           P  
HETATM   10  O4  UNL     1      -3.410  -1.577  -0.479  1.00  0.00           O  
HETATM   11  O5  UNL     1      -2.176   0.755  -0.756  1.00  0.00           O  
HETATM   12  C6  UNL     1      -3.464   1.134  -1.144  1.00  0.00           C  
HETATM   13  O6  UNL     1      -1.868  -0.875   1.493  1.00  0.00           O  
HETATM   14  C7  UNL     1      -1.945   0.433   1.971  1.00  0.00           C  
HETATM   15  H1  UNL     1       4.225   2.621  -0.065  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.714   0.880   0.257  1.00  0.00           H  
HETATM   17  H3  UNL     1       5.011   1.606  -1.338  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.583   0.362  -1.653  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.292  -3.044   0.820  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.987  -2.673   0.230  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.250  -1.682   1.516  1.00  0.00           H  
HETATM   22  H8  UNL     1      -4.185   1.089  -0.308  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.370   2.152  -1.585  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.821   0.467  -1.948  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.996   0.655   2.235  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.330   0.589   2.877  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.652   1.125   1.158  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6    6   18
CONECT    6    7    8
CONECT    7   19   20   21
CONECT    8    9
CONECT    9   10   10   11   13
CONECT   11   12
CONECT   12   22   23   24
CONECT   13   14
CONECT   14   25   26   27
END
Download

SMILES for HMDB0250292 (cis-Mevinphos)

COC(=O)C=C(C)OP(=O)(OC)OC
Download

INCHI for HMDB0250292 (cis-Mevinphos)

InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphateChEBI
2-Methoxycarbonyl-1-methylvinyl dimethyl phosphateChEBI
Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoateChEBI
Methyl 3-hydroxycrotonate dimethyl phosphate esterChEBI
O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphateChEBI
PhosdrinChEBI
1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphoric acidGenerator
2-Methoxycarbonyl-1-methylvinyl dimethyl phosphoric acidGenerator
Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoic acidGenerator
Methyl 3-hydroxycrotonic acid dimethyl phosphoric acid esterGenerator
O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphoric acidGenerator
FosdrineMeSH
FosdrinMeSH
Chemical FormulaC7H13O6P
Average Molecular Weight224.1483
Monoisotopic Molecular Weight224.04497466
IUPAC Namemethyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate
Traditional Namemenite
CAS Registry NumberNot Available
SMILES
COC(=O)C=C(C)OP(=O)(OC)OC
InChI Identifier
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
InChI KeyGEPDYQSQVLXLEU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
Substituents
  • Fatty acid ester
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Methyl ester
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
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
logP0.71ALOGPS
logP0.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area71.06 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity49.69 m³·mol⁻¹ChemAxon
Polarizability19.77 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+143.93230932474
DeepCCS[M-H]-141.09830932474
DeepCCS[M-2H]-177.19330932474
DeepCCS[M+Na]+152.73130932474
AllCCS[M+H]+150.032859911
AllCCS[M+H-H2O]+146.532859911
AllCCS[M+NH4]+153.232859911
AllCCS[M+Na]+154.232859911
AllCCS[M-H]-146.332859911
AllCCS[M+Na-2H]-147.732859911
AllCCS[M+HCOO]-149.332859911

Predicted Kovats Retention Indices

Not Available
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - cis-Mevinphos GC-MS (Non-derivatized) - 70eV, PositiveNot Available2020-08-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - cis-Mevinphos GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - cis-Mevinphos GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Mevinphos NA , positive-QTOFsplash10-004i-0900000000-f86d2b42bbde67a25fda2020-08-04HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Mevinphos NA , positive-QTOFsplash10-004i-1900000000-1616e2d588bd59dea40b2020-08-04HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Mevinphos NA , positive-QTOFsplash10-004i-1900000000-8a0afb3d36c5c54406fa2020-08-04HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Mevinphos NA , positive-QTOFsplash10-004i-0900000000-d018cc22da46994a25f42020-08-04HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 10V, Positive-QTOFsplash10-0f92-3910000000-6880493be6e3b22533542019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 20V, Positive-QTOFsplash10-002b-9810000000-572a7ab757c5d047e09d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 40V, Positive-QTOFsplash10-002r-9300000000-462c8d321a5224757a412019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 10V, Negative-QTOFsplash10-00dl-0960000000-348c3af695d7965158642019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 20V, Negative-QTOFsplash10-01xx-1910000000-da357ff17cf0a52b6d6e2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 40V, Negative-QTOFsplash10-0036-9200000000-cfeb9a7b1630c926b7792019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 10V, Positive-QTOFsplash10-004i-0900000000-67da34c991bf70f9254b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 20V, Positive-QTOFsplash10-004i-3900000000-1249920e1eba82f85a512021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 40V, Positive-QTOFsplash10-0a4i-4900000000-b786b604dbc5626d28562021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 10V, Negative-QTOFsplash10-0006-9300000000-dd80a697affdc226842f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 20V, Negative-QTOFsplash10-002f-5900000000-e8453d7f2d4b4288a0b52021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Mevinphos 40V, Negative-QTOFsplash10-0006-9000000000-5335e43507948c43a40d2021-10-12Wishart LabView Spectrum
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 ID9185
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMevinphos
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID38725
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 ]