Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:40:41 UTC
Update Date2025-03-24 22:10:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02016239
Frequency0.6
Structure
Chemical FormulaC4H7NO2+
Molecular Mass101.0471
SMILESCC([N+])CC(=O)O
InChI KeyNXDIBWQDQITHJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent fatty acids and conjugates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound