Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:56:39 UTC
Update Date2025-03-21 20:08:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00335094
Frequency5.7
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESNC(CO)C(O)=C=O
InChI KeyYDHVLIALWJOJAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ynolates
Direct Parent ynolates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol