Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:46 UTC
Update Date2025-03-25 00:55:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209943
Frequency0.5
Structure
Chemical FormulaC4H9NO
Molecular Mass87.0684
SMILESCC(O)CC=N
InChI KeyGAEFPVFIXBTZQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound