Hmdb loader

Showing metabocard for Cyanophos (HMDB0250614)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:42:23 UTC
Update Date2021-09-26 23:02:11 UTC
HMDB IDHMDB0250614
Secondary Accession NumbersNone
Metabolite Identification
Common NameCyanophos
Descriptioncyanophos, also known as ciafos, belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group. Based on a literature review very few articles have been published on cyanophos. This compound has been identified in human blood as reported by (PMID: 31557052 ). Cyanophos is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Cyanophos 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 HMDB0250614 (Cyanophos)


  Mrv1572004191601192D          

 15 15  0  0  0  0            999 V2000
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   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
    0.7145   -0.4125    0.0000 C   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
    0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  3  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
Download

3D MOL for HMDB0250614 (Cyanophos)

HMDB0250614
     RDKit          3D
Cyanophos
 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.4879    2.3351   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331    1.6013   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.0272    0.4170 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.4620    0.0780    2.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054   -0.5509   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.9220   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   -1.0466    0.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830   -0.6618    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.5296    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092   -0.1412    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185    0.1086    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020    0.5102    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9092    0.8498    0.1492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -0.0364   -0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -0.4235   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    3.2855    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692    1.8238   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2973    2.6741   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544   -2.4988   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4521   -2.0314   -1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -2.3226   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -0.7301    2.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3377   -0.0447    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    0.1684   -1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -0.5226   -1.8674 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  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  3  0
 11 14  1  0
 14 15  2  0
 15  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
  9 22  1  0
 10 23  1  0
 14 24  1  0
 15 25  1  0
M  END
Download

3D SDF for HMDB0250614 (Cyanophos)


  Mrv1572004191601192D          

 15 15  0  0  0  0            999 V2000
    1.2375    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   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
    0.7145   -0.4125    0.0000 C   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
    0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  3  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250614

> <DATABASE_NAME>
hmdb

> <SMILES>
COP(=S)(OC)OC1=CC=C(C=C1)C#N

> <INCHI_IDENTIFIER>
InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

> <INCHI_KEY>
SCKHCCSZFPSHGR-UHFFFAOYSA-N

> <FORMULA>
C9H10NO3PS

> <MOLECULAR_WEIGHT>
243.22

> <EXACT_MASS>
243.011901358

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
22.33995733801085

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
O-4-cyanophenyl O,O-dimethyl phosphorothioate

> <ALOGPS_LOGP>
2.86

> <JCHEM_LOGP>
2.5177025666666673

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
51.480000000000004

> <JCHEM_REFRACTIVITY>
61.58890000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanox

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250614 (Cyanophos)

HMDB0250614
     RDKit          3D
Cyanophos
 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.4879    2.3351   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331    1.6013   -0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.0272    0.4170 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.4620    0.0780    2.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054   -0.5509   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.9220   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   -1.0466    0.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830   -0.6618    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.5296    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092   -0.1412    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185    0.1086    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020    0.5102    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9092    0.8498    0.1492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -0.0364   -0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -0.4235   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    3.2855    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692    1.8238   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2973    2.6741   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8544   -2.4988   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4521   -2.0314   -1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -2.3226   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -0.7301    2.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3377   -0.0447    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    0.1684   -1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -0.5226   -1.8674 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  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  3  0
 11 14  1  0
 14 15  2  0
 15  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
  9 22  1  0
 10 23  1  0
 14 24  1  0
 15 25  1  0
M  END
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PDB for HMDB0250614 (Cyanophos)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       2.310   5.954   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.310   3.286   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.334  -3.850   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       0.770   5.954   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -0.770   3.286   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0      -0.000   4.620   0.000  0.00  0.00           P+0
HETATM   15  S   UNK     0      -1.334   5.390   0.000  0.00  0.00           S+0
CONECT    1   11                                                            
CONECT    2   12                                                            
CONECT    3    5    8                                                       
CONECT    4    6    8                                                       
CONECT    5    3    9                                                       
CONECT    6    4    9                                                       
CONECT    7    8   10                                                       
CONECT    8    3    4    7                                                  
CONECT    9    5    6   13                                                  
CONECT   10    7                                                            
CONECT   11    1   14                                                       
CONECT   12    2   14                                                       
CONECT   13    9   14                                                       
CONECT   14   11   12   13   15                                             
CONECT   15   14                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0250614 (Cyanophos)

COMPND    HMDB0250614
HETATM    1  C1  UNL     1      -2.488   2.335  -0.506  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.433   1.601  -0.013  1.00  0.00           O  
HETATM    3  P1  UNL     1      -1.856   0.027   0.417  1.00  0.00           P  
HETATM    4  S1  UNL     1      -2.462   0.078   2.036  1.00  0.00           S  
HETATM    5  O2  UNL     1      -3.105  -0.551  -0.566  1.00  0.00           O  
HETATM    6  C2  UNL     1      -2.918  -1.922  -0.736  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.542  -1.047   0.322  1.00  0.00           O  
HETATM    8  C3  UNL     1       0.783  -0.662   0.301  1.00  0.00           C  
HETATM    9  C4  UNL     1       1.485  -0.530   1.483  1.00  0.00           C  
HETATM   10  C5  UNL     1       2.809  -0.141   1.397  1.00  0.00           C  
HETATM   11  C6  UNL     1       3.418   0.109   0.176  1.00  0.00           C  
HETATM   12  C7  UNL     1       4.802   0.510   0.158  1.00  0.00           C  
HETATM   13  N1  UNL     1       5.909   0.850   0.149  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.678  -0.036  -0.981  1.00  0.00           C  
HETATM   15  C9  UNL     1       1.349  -0.424  -0.939  1.00  0.00           C  
HETATM   16  H1  UNL     1      -2.532   3.285   0.103  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.469   1.824  -0.393  1.00  0.00           H  
HETATM   18  H3  UNL     1      -2.297   2.674  -1.544  1.00  0.00           H  
HETATM   19  H4  UNL     1      -3.854  -2.499  -0.655  1.00  0.00           H  
HETATM   20  H5  UNL     1      -2.452  -2.031  -1.759  1.00  0.00           H  
HETATM   21  H6  UNL     1      -2.154  -2.323  -0.032  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.987  -0.730   2.420  1.00  0.00           H  
HETATM   23  H8  UNL     1       3.338  -0.045   2.339  1.00  0.00           H  
HETATM   24  H9  UNL     1       3.190   0.168  -1.922  1.00  0.00           H  
HETATM   25  H10 UNL     1       0.814  -0.523  -1.867  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4    5    7
CONECT    5    6
CONECT    6   19   20   21
CONECT    7    8
CONECT    8    9    9   15
CONECT    9   10   22
CONECT   10   11   11   23
CONECT   11   12   14
CONECT   12   13   13   13
CONECT   14   15   15   24
CONECT   15   25
END
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SMILES for HMDB0250614 (Cyanophos)

COP(=S)(OC)OC1=CC=C(C=C1)C#N
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INCHI for HMDB0250614 (Cyanophos)

InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
4-(Dimethoxyphosphinothioyloxy)benzonitrileChEBI
CiafosChEBI
O,O-Dimethyl O-(4-cyanophenyl) thionophosphateChEBI
O,O-Dimethyl-O-p-cyanophenyl phosphorothioateChEBI
O-(4-Cyanophenyl) O,O-dimethyl thiophosphateChEBI
O-p-Cyanophenyl O,O-dimethyl phosphorothioateChEBI
Phosphorothioic acid, O-(4-cyanophenyl) O,O-dimethyl esterChEBI
O,O-Dimethyl O-(4-cyanophenyl) thionophosphoric acidGenerator
O,O-Dimethyl-O-p-cyanophenyl phosphorothioic acidGenerator
O-(4-Cyanophenyl) O,O-dimethyl thiophosphoric acidGenerator
O-p-Cyanophenyl O,O-dimethyl phosphorothioic acidGenerator
Phosphorothioate, O-(4-cyanophenyl) O,O-dimethyl esterGenerator
CyanoxMeSH
CyanophosMeSH
Chemical FormulaC9H10NO3PS
Average Molecular Weight243.22
Monoisotopic Molecular Weight243.011901358
IUPAC NameO-4-cyanophenyl O,O-dimethyl phosphorothioate
Traditional Namecyanox
CAS Registry NumberNot Available
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)C#N
InChI Identifier
InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChI KeySCKHCCSZFPSHGR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic thiophosphoric acids and derivatives
Sub ClassThiophosphoric acid esters
Direct ParentPhenyl thiophosphates
Alternative Parents
Substituents
  • Phenyl thiophosphate
  • Phenoxy compound
  • Thiophosphate triester
  • Benzonitrile
  • Benzenoid
  • Monocyclic benzene moiety
  • Nitrile
  • Carbonitrile
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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
logP2.86ALOGPS
logP2.52ChemAxon
logS-3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area51.48 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity61.59 m³·mol⁻¹ChemAxon
Polarizability22.34 ųChemAxon
Number of Rings1ChemAxon
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]+146.90930932474
DeepCCS[M-H]-144.55130932474
DeepCCS[M-2H]-179.05330932474
DeepCCS[M+Na]+154.07930932474
AllCCS[M+H]+147.932859911
AllCCS[M+H-H2O]+144.432859911
AllCCS[M+NH4]+151.232859911
AllCCS[M+Na]+152.132859911
AllCCS[M-H]-150.632859911
AllCCS[M+Na-2H]-151.032859911
AllCCS[M+HCOO]-151.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CyanophosCOP(=S)(OC)OC1=CC=C(C=C1)C#N2803.1Standard polar33892256
CyanophosCOP(=S)(OC)OC1=CC=C(C=C1)C#N1744.9Standard non polar33892256
CyanophosCOP(=S)(OC)OC1=CC=C(C=C1)C#N1773.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyanophos GC-MS (Non-derivatized) - 70eV, Positivesplash10-046u-6690000000-2900208ca724c1f448912021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanophos GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 10V, Positive-QTOFsplash10-0006-0090000000-3291d8c67e3b837514dc2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 20V, Positive-QTOFsplash10-0006-0090000000-fa4cedfe5d940b6c3d1f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 40V, Positive-QTOFsplash10-0006-6390000000-e8aedc16349dc055c2152016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 10V, Negative-QTOFsplash10-0006-0090000000-2a87e5f594d6d2a51fea2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 20V, Negative-QTOFsplash10-0006-0090000000-35a7c9a44d909f98b81a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 40V, Negative-QTOFsplash10-0006-7590000000-df36c892b4020a79ca402016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 10V, Positive-QTOFsplash10-0006-0290000000-90e6baa4347eda4294a42021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 20V, Positive-QTOFsplash10-006x-0590000000-7b07ee2dcf86dc0fa7c32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 40V, Positive-QTOFsplash10-0uk9-8900000000-3e9487f6c8c7e7397d172021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 10V, Negative-QTOFsplash10-0006-0090000000-fd1509cd8bfa5c51abc52021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 20V, Negative-QTOFsplash10-0006-0090000000-fd1509cd8bfa5c51abc52021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanophos 40V, Negative-QTOFsplash10-014l-9700000000-ad743aece92b12e4bb912021-10-12Wishart 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 ID16569
KEGG Compound IDC18397
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCyanophos
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID38621
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 ]