Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:38 UTC
Update Date2025-03-25 00:51:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186816
Frequency0.5
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESNCCc1c[nH]oc1=O
InChI KeyLANKKYNVFIPJPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass isoxazoles
Direct Parent isoxazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • isoxazole
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound