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Showing metabocard for Dazomet (HMDB0250885)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 08:02:29 UTC
Update Date2021-09-26 23:02:36 UTC
HMDB IDHMDB0250885
Secondary Accession NumbersNone
Metabolite Identification
Common NameDazomet
DescriptionDazomet, also known as basamid or crag 974, belongs to the class of organic compounds known as thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms. Dazomet is a strong basic compound (based on its pKa). Dazomet is irritating to the eyes and its degradation product, MITC, is a dermal sensitizer. Dazomet is a potentially toxic compound. Dazomet is used for soil sterilization as an alternative to methyl bromide. Dazomet is used as a soil sterilant on a variety of sites such as golf courses, nurseries, turf sites, and potting soils. Dazomet is a common soil fumigant that acts as a herbicide, fungicide, and nematicide. The decomposition of dazomet releases methyl isothiocyanate (MITC) a gas toxic to pests that would prevent or kill plant growth. Dazomet is very toxic to aquatic organisms, and also acutely toxic to mammals. Dazomet is applied to wet soil, which causes dazomet itself to decompose into a gaseous form, which is what actively controls pests. Although less effective it is still used to kill pests because of its comparatively lower toxicity. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dazomet is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Dazomet 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 HMDB0250885 (Dazomet)


  Mrv0541 04251301002D          

  9  9  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   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
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
    0.0000    0.0000    0.0000 S   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 S   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
Download

3D MOL for HMDB0250885 (Dazomet)

HMDB0250885
     RDKit          3D
Dazomet
 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.5542    1.0667   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465    0.3379    0.3904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133   -0.9405    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -2.3159    0.4153 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9737   -1.6204    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -2.5169   -0.4666 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992   -0.2343    0.4537 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    0.3505    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    0.5628    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    2.1598   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    0.6731   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.8679   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4242   -1.0347    1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -1.0508   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    0.8210    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -0.3479   -0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    1.1676   -0.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053    0.4184    2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    1.6356    0.8098 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
M  END
Download

3D SDF for HMDB0250885 (Dazomet)


  Mrv0541 04251301002D          

  9  9  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   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
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
    0.0000    0.0000    0.0000 S   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 S   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250885

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1CSC(=S)N(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

> <INCHI_KEY>
QAYICIQNSGETAS-UHFFFAOYSA-N

> <FORMULA>
C5H10N2S2

> <MOLECULAR_WEIGHT>
162.276

> <EXACT_MASS>
162.02853971

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.072688446705758

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
1.2834316753333332

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.060433469136976

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
46.172999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiazon

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0250885 (Dazomet)

HMDB0250885
     RDKit          3D
Dazomet
 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.5542    1.0667   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465    0.3379    0.3904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8133   -0.9405    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -2.3159    0.4153 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9737   -1.6204    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -2.5169   -0.4666 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992   -0.2343    0.4537 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    0.3505    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    0.5628    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    2.1598   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    0.6731   -1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.8679   -1.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4242   -1.0347    1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -1.0508   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7844    0.8210    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548   -0.3479   -0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    1.1676   -0.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053    0.4184    2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    1.6356    0.8098 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
M  END
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PDB for HMDB0250885 (Dazomet)

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  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0       0.000   0.000   0.000  0.00  0.00           S+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0      -1.334   2.310   0.000  0.00  0.00           S+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    2    9                                                  
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0250885 (Dazomet)

COMPND    HMDB0250885
HETATM    1  C1  UNL     1      -1.554   1.067  -0.797  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.247   0.338   0.390  1.00  0.00           N  
HETATM    3  C2  UNL     1      -1.813  -0.941   0.461  1.00  0.00           C  
HETATM    4  S1  UNL     1      -0.659  -2.316   0.415  1.00  0.00           S  
HETATM    5  C3  UNL     1       0.974  -1.620   0.123  1.00  0.00           C  
HETATM    6  S2  UNL     1       2.178  -2.517  -0.467  1.00  0.00           S  
HETATM    7  N2  UNL     1       1.099  -0.234   0.454  1.00  0.00           N  
HETATM    8  C4  UNL     1       2.417   0.350   0.262  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.028   0.563   0.944  1.00  0.00           C  
HETATM   10  H1  UNL     1      -1.403   2.160  -0.703  1.00  0.00           H  
HETATM   11  H2  UNL     1      -0.946   0.673  -1.649  1.00  0.00           H  
HETATM   12  H3  UNL     1      -2.632   0.868  -1.048  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.424  -1.035   1.390  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.554  -1.051  -0.383  1.00  0.00           H  
HETATM   15  H6  UNL     1       2.784   0.821   1.214  1.00  0.00           H  
HETATM   16  H7  UNL     1       3.155  -0.348  -0.131  1.00  0.00           H  
HETATM   17  H8  UNL     1       2.318   1.168  -0.512  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.005   0.418   2.063  1.00  0.00           H  
HETATM   19  H10 UNL     1       0.284   1.636   0.810  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    9
CONECT    3    4   13   14
CONECT    4    5
CONECT    5    6    6    7
CONECT    7    8    9
CONECT    8   15   16   17
CONECT    9   18   19
END
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SMILES for HMDB0250885 (Dazomet)

CN1CSC(=S)N(C)C1
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INCHI for HMDB0250885 (Dazomet)

InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazineChEBI
3,5-Dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thioneChEBI
3,5-Dimethyl-2-thionotetrahydro-1,3,5-thiadiazineChEBI
3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thioneChEBI
3,5-Dimethyltetrahydro-1,3,5-thiadiazine-2-thioneChEBI
3,5-Dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thioneChEBI
BasamidChEBI
Crag 974ChEBI
DazobergChEBI
DimethylformocarbothialdineChEBI
DMTTChEBI
MyloneChEBI
NSC 4737ChEBI
Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thioneChEBI
Tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thioneChEBI
TiazonChEBI
UCC 974ChEBI
ThiazoneMeSH
BasamideMeSH
Chemical FormulaC5H10N2S2
Average Molecular Weight162.276
Monoisotopic Molecular Weight162.02853971
IUPAC Name3,5-dimethyl-1,3,5-thiadiazinane-2-thione
Traditional Namethiazon
CAS Registry NumberNot Available
SMILES
CN1CSC(=S)N(C)C1
InChI Identifier
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
InChI KeyQAYICIQNSGETAS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassThiadiazinanes
Sub ClassNot Available
Direct ParentThiadiazinanes
Alternative Parents
Substituents
  • Thiadiazinane
  • Cyclic dithiocarbamic acid ester
  • Dithiocarbamic acid ester
  • Azacycle
  • Hemithioaminal
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
Role
Industrial applicationBiological role
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
logP0.48ALOGPS
logP1.28ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)4.06ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area6.48 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity46.17 m³·mol⁻¹ChemAxon
Polarizability17.07 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+137.41130932474
DeepCCS[M-H]-135.26730932474
DeepCCS[M-2H]-171.02230932474
DeepCCS[M+Na]+145.7130932474
AllCCS[M+H]+132.532859911
AllCCS[M+H-H2O]+128.332859911
AllCCS[M+NH4]+136.532859911
AllCCS[M+Na]+137.632859911
AllCCS[M-H]-131.332859911
AllCCS[M+Na-2H]-133.832859911
AllCCS[M+HCOO]-136.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DazometCN1CSC(=S)N(C)C12235.9Standard polar33892256
DazometCN1CSC(=S)N(C)C11432.7Standard non polar33892256
DazometCN1CSC(=S)N(C)C11688.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Dazomet GC-MS (Non-derivatized) - 70eV, Positivesplash10-03fv-9800000000-aa787fe0c30c555215f92021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dazomet GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9100000000-5a7d67bda2e5c3972d542014-10-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Dazomet 90V, Positive-QTOFsplash10-0udi-9000000000-bf9941b6e7a6373b7f2c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Dazomet 60V, Positive-QTOFsplash10-0udi-9000000000-368c42a6d7ee85141a772021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 10V, Positive-QTOFsplash10-03di-0900000000-3ecedce2ba244c2f12de2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 20V, Positive-QTOFsplash10-01ox-9500000000-f738742d8c3ded2dfadd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 40V, Positive-QTOFsplash10-00fu-9100000000-2f83da49ca198d71f4902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 10V, Negative-QTOFsplash10-03di-1900000000-3e8a6f9481c91dfc61ea2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 20V, Negative-QTOFsplash10-00di-9000000000-6562c489ef7514276a002016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 40V, Negative-QTOFsplash10-0006-9400000000-7a22a443ad1ae1644cf82016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 10V, Positive-QTOFsplash10-03di-0900000000-17273c55bad7b32a733a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 20V, Positive-QTOFsplash10-03di-3900000000-819e429fabd42676a5c12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 40V, Positive-QTOFsplash10-00dl-9000000000-2715701f2952b363f29c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 10V, Negative-QTOFsplash10-03di-2900000000-114e0dedaeab968a6e692021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 20V, Negative-QTOFsplash10-00di-9200000000-68336301c10a101a41772021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dazomet 40V, Negative-QTOFsplash10-00di-9100000000-1b39126daf8886f954672021-10-12Wishart 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 IDNot Available
KEGG Compound IDC18457
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDazomet
METLIN IDNot Available
PubChem Compound10788
PDB IDNot Available
ChEBI ID75212
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 ]