Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:45 UTC
Update Date2025-03-21 18:40:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128837
Frequency19.8
Structure
Chemical FormulaC7H13N3O
Molecular Mass155.1059
SMILESNCc1[nH]cc(CO)c1CN
InChI KeyVRANASKETYXFCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound