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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:21 UTC
Update Date2025-03-25 00:51:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188442
Frequency0.5
Structure
Chemical FormulaC9H15N3O2
Molecular Mass197.1164
SMILESCC(O)C(=O)NCCCn1ccnc1
InChI KeyNMQTVFDQNODFLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-substituted imidazole