Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:23 UTC
Update Date2025-03-21 17:56:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00004739
Frequency1167.3
Structure
Chemical FormulaC4H10N2O2
Molecular Mass118.0742
SMILESNCC(N)CC(=O)O
InChI KeyXQKAYTBBWLDCBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound