Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:01 UTC
Update Date2025-03-21 18:34:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100531
Frequency27.2
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCNC(=O)c1cccn1C
InChI KeyKAEZLAZMWDXQFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass pyrrole carboxylic acids and derivatives
Direct Parent pyrrole carboxamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • substituted pyrroles
  • Substituents
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • carboxamide group
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrole-2-carboxamide
  • organic nitrogen compound
  • organooxygen compound