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Showing metabocard for N-Methyl-N-nitrosourea (HMDB0255181)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 14:45:32 UTC
Update Date2021-09-26 23:09:47 UTC
HMDB IDHMDB0255181
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-Methyl-N-nitrosourea
DescriptionN-methyl-N-nitrosourea, also known as N-nitroso-N-methylurea or NMH, belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom). N-methyl-N-nitrosourea is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on N-methyl-N-nitrosourea. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-methyl-n-nitrosourea is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-Methyl-N-nitrosourea 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 HMDB0255181 (N-Methyl-N-nitrosourea)


  Mrv1572004191601162D          

  7  6  0  0  0  0            999 V2000
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
M  END
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3D MOL for HMDB0255181 (N-Methyl-N-nitrosourea)

HMDB0255181
     RDKit          3D
N-Methyl-N-nitrosourea
 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.5049   -0.2635   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.2003    0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.5620    1.6700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238    0.3917    2.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023    0.2264   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    1.4849   -0.5079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -0.7255   -0.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -0.1419   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199    0.5454   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -1.2701   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8985    1.9039   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062   -1.3889    0.1321 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
  2  5  1  0
  5  6  2  3
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  6 11  1  0
  7 12  1  0
M  END
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3D SDF for HMDB0255181 (N-Methyl-N-nitrosourea)


  Mrv1572004191601162D          

  7  6  0  0  0  0            999 V2000
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0255181

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(N=O)C(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)

> <INCHI_KEY>
ZRKWMRDKSOPRRS-UHFFFAOYSA-N

> <FORMULA>
C2H5N3O2

> <MOLECULAR_WEIGHT>
103.081

> <EXACT_MASS>
103.038176413

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.415257105647981

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(C-hydroxycarbonimidoyl)-N-nitrosomethanamine

> <ALOGPS_LOGP>
-0.57

> <JCHEM_LOGP>
0.28960465566666665

> <ALOGPS_LOGS>
-1.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.407435731321363

> <JCHEM_PKA_STRONGEST_BASIC>
1.6681706258314333

> <JCHEM_POLAR_SURFACE_AREA>
76.75

> <JCHEM_REFRACTIVITY>
34.333

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.23e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(C-hydroxycarbonimidoyl)-N-nitrosomethanamine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0255181 (N-Methyl-N-nitrosourea)

HMDB0255181
     RDKit          3D
N-Methyl-N-nitrosourea
 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.5049   -0.2635   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.2003    0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.5620    1.6700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2238    0.3917    2.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023    0.2264   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    1.4849   -0.5079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -0.7255   -0.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -0.1419   -1.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199    0.5454   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -1.2701   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8985    1.9039   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062   -1.3889    0.1321 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
  2  5  1  0
  5  6  2  3
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  6 11  1  0
  7 12  1  0
M  END
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PDB for HMDB0255181 (N-Methyl-N-nitrosourea)

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       1.540  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.850  -1.334   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       4.620  -2.667   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       1.540   0.000   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       2.310  -1.334   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0       4.620  -0.000   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    5                                                            
CONECT    2    3    5    6                                                  
CONECT    3    2                                                            
CONECT    4    5    7                                                       
CONECT    5    1    2    4                                                  
CONECT    6    2                                                            
CONECT    7    4                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0255181 (N-Methyl-N-nitrosourea)

COMPND    HMDB0255181
HETATM    1  C1  UNL     1      -1.505  -0.264  -0.408  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.286  -0.200   0.338  1.00  0.00           N  
HETATM    3  N2  UNL     1      -0.280  -0.562   1.670  1.00  0.00           N  
HETATM    4  O1  UNL     1      -0.224   0.392   2.505  1.00  0.00           O  
HETATM    5  C2  UNL     1       0.902   0.226  -0.274  1.00  0.00           C  
HETATM    6  N3  UNL     1       1.069   1.485  -0.508  1.00  0.00           N  
HETATM    7  O2  UNL     1       1.852  -0.725  -0.603  1.00  0.00           O  
HETATM    8  H1  UNL     1      -1.323  -0.142  -1.514  1.00  0.00           H  
HETATM    9  H2  UNL     1      -2.220   0.545  -0.091  1.00  0.00           H  
HETATM   10  H3  UNL     1      -1.991  -1.270  -0.298  1.00  0.00           H  
HETATM   11  H4  UNL     1       1.898   1.904  -0.950  1.00  0.00           H  
HETATM   12  H5  UNL     1       2.106  -1.389   0.132  1.00  0.00           H  
CONECT    1    2    8    9   10
CONECT    2    3    5
CONECT    3    4    4
CONECT    5    6    6    7
CONECT    6   11
CONECT    7   12
END
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SMILES for HMDB0255181 (N-Methyl-N-nitrosourea)

CN(N=O)C(O)=N
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INCHI for HMDB0255181 (N-Methyl-N-nitrosourea)

InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-(Aminocarbonyl)-1-methyl-2-oxohydrazineChEBI
1-Nitroso-1-methylureaChEBI
MethylnitrosoharnstoffChEBI
MethylnitrosoureaChEBI
MethylnitrosoureeChEBI
MNUChEBI
N-Methyl-N-nitrosocarbamideChEBI
N-Methyl-N-nitrosoharnstoffChEBI
N-Methyl-N-nitrosoureeChEBI
N-Nitroso-N-methylcarbamideChEBI
N-Nitroso-N-methylharnstoffChEBI
N-Nitroso-N-methylureaChEBI
N-Nitroso-N-methylureeChEBI
N-NitrosomethylureaChEBI
NitrosomethylureaChEBI
NMHChEBI
NMUChEBI
N-Methyl-N-nitrosoureaMeSH
N Methyl N nitrosoureaMeSH
Chemical FormulaC2H5N3O2
Average Molecular Weight103.081
Monoisotopic Molecular Weight103.038176413
IUPAC NameN-(C-hydroxycarbonimidoyl)-N-nitrosomethanamine
Traditional NameN-(C-hydroxycarbonimidoyl)-N-nitrosomethanamine
CAS Registry NumberNot Available
SMILES
CN(N=O)C(O)=N
InChI Identifier
InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
InChI KeyZRKWMRDKSOPRRS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassUreas
Direct ParentN-methylnitrosoureas
Alternative Parents
Substituents
  • N-methylnitrosourea
  • Nitrosamide
  • Semicarbazide
  • Organic n-nitroso compound
  • Organic nitroso compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • 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
logP-0.57ALOGPS
logP0.29ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)4.41ChemAxon
pKa (Strongest Basic)1.67ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area76.75 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity34.33 m³·mol⁻¹ChemAxon
Polarizability8.42 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+120.7730932474
DeepCCS[M-H]-118.87430932474
DeepCCS[M-2H]-154.4930932474
DeepCCS[M+Na]+128.94730932474
AllCCS[M+H]+128.932859911
AllCCS[M+H-H2O]+124.732859911
AllCCS[M+NH4]+132.732859911
AllCCS[M+Na]+133.832859911
AllCCS[M-H]-121.932859911
AllCCS[M+Na-2H]-126.032859911
AllCCS[M+HCOO]-130.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Methyl-N-nitrosoureaCN(N=O)C(O)=N1843.6Standard polar33892256
N-Methyl-N-nitrosoureaCN(N=O)C(O)=N1176.3Standard non polar33892256
N-Methyl-N-nitrosoureaCN(N=O)C(O)=N1250.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Methyl-N-nitrosourea,2TMS,isomer #1CN(N=O)C(=N[Si](C)(C)C)O[Si](C)(C)C1365.9Semi standard non polar33892256
N-Methyl-N-nitrosourea,2TMS,isomer #1CN(N=O)C(=N[Si](C)(C)C)O[Si](C)(C)C1269.7Standard non polar33892256
N-Methyl-N-nitrosourea,2TMS,isomer #1CN(N=O)C(=N[Si](C)(C)C)O[Si](C)(C)C2003.7Standard polar33892256
N-Methyl-N-nitrosourea,2TBDMS,isomer #1CN(N=O)C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1730.5Semi standard non polar33892256
N-Methyl-N-nitrosourea,2TBDMS,isomer #1CN(N=O)C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1656.0Standard non polar33892256
N-Methyl-N-nitrosourea,2TBDMS,isomer #1CN(N=O)C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2049.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-ca8f071c5b380de222872021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Methyl-N-nitrosourea GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 10V, Positive-QTOFsplash10-0udi-4900000000-5876cd095a6b4e147a112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 20V, Positive-QTOFsplash10-03di-9000000000-5119f976c4668710b8c12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 40V, Positive-QTOFsplash10-0006-9000000000-4762338acc100b5f6c8b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 10V, Negative-QTOFsplash10-0006-9100000000-6eb6d80a27677c19eeff2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 20V, Negative-QTOFsplash10-0a6r-9000000000-f3b3346d0686e23051d12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Methyl-N-nitrosourea 40V, Negative-QTOFsplash10-054o-9000000000-c22cab06b17e5bd429a02016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart 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 ID12177
KEGG Compound IDC14595
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkN-Methyl-N-nitrosourea
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID50102
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 ]