Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 20:08:19 UTC
Update Date2021-09-26 23:15:29 UTC
HMDB IDHMDB0258518
Secondary Accession NumbersNone
Metabolite Identification
Common NameD-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-
Description3,4,5,6-tetrahydroxy-N-methyl-N-nitroso-1-oxohexane-2-carbamimidic acid belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Based on a literature review very few articles have been published on 3,4,5,6-tetrahydroxy-N-methyl-N-nitroso-1-oxohexane-2-carbamimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). D-glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- 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
Synonyms
ValueSource
3,4,5,6-Tetrahydroxy-N-methyl-N-nitroso-1-oxohexane-2-carbamimidateGenerator
Chemical FormulaC8H15N3O7
Average Molecular Weight265.222
Monoisotopic Molecular Weight265.090999835
IUPAC Name1-methyl-1-nitroso-3-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)urea
Traditional Namestreptozocin
CAS Registry NumberNot Available
SMILES
CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO
InChI Identifier
InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)
InChI KeyAGRCPNMCOXLKFO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • N-methylnitrosourea
  • Amino saccharide
  • Beta-hydroxy aldehyde
  • Nitrosourea
  • Nitrosamide
  • Semicarbazide
  • Organic n-nitroso compound
  • Secondary alcohol
  • Carbonic acid derivative
  • Organic nitroso compound
  • Polyol
  • Alcohol
  • Organonitrogen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aldehyde
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
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-1.6ALOGPS
logP-3.4ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)11.65ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area159.76 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity57.38 m³·mol⁻¹ChemAxon
Polarizability23.49 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]+152.05630932474
DeepCCS[M-H]-149.66130932474
DeepCCS[M-2H]-182.71230932474
DeepCCS[M+Na]+158.07930932474
AllCCS[M+H]+158.332859911
AllCCS[M+H-H2O]+155.232859911
AllCCS[M+NH4]+161.232859911
AllCCS[M+Na]+162.132859911
AllCCS[M-H]-155.232859911
AllCCS[M+Na-2H]-155.732859911
AllCCS[M+HCOO]-156.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO2780.5Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO1636.1Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO2485.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2412.0Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C2166.8Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C3352.1Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2361.6Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2313.3Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2666.9Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C2430.6Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C2294.9Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C2950.2Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C2424.0Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C2303.5Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C2947.5Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2431.0Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2295.8Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2964.6Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2436.7Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2311.5Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2998.4Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,6TMS,isomer #1CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2457.7Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,6TMS,isomer #1CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2319.7Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,6TMS,isomer #1CN(N=O)C(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2756.9Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3468.6Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2919.6Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #1CN(N=O)C(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3591.6Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3403.3Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3131.6Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #2CN(N=O)C(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3085.1Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3417.9Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3094.9Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #3CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3265.9Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3425.9Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3098.8Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #4CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3274.6Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3438.3Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3091.4Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #5CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3283.1Standard polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3436.6Semi standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3101.6Standard non polar33892256
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,5TBDMS,isomer #6CN(N=O)C(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3309.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (Non-derivatized) - 70eV, Positivesplash10-03dm-9540000000-a92584f5f945e47f58142021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]- GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart 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 ID5108
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5299
PDB IDNot Available
ChEBI IDNot Available
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 ]