Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:49:34 UTC
Update Date2025-03-21 21:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00460621
Frequency3.8
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESO=CCCNCCC(=O)O
InChI KeyZJBINIKOJSNQRO-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
  • alpha-hydrogen aldehydes
  • amino acids
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid
  • aldehyde
  • secondary amine
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine