Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:18:16 UTC
Update Date2025-03-21 22:14:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00528301
Frequency3.2
Structure
Chemical FormulaC5H9NO
Molecular Mass99.0684
SMILESOC1C=CCNC1
InChI KeyNHSZSLKNHBBRFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine