Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:56 UTC
Update Date2025-03-21 17:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017400
Frequency250.0
Structure
Chemical FormulaC9H17NO3
Molecular Mass187.1208
SMILESCCCCCC(=O)NCCC(=O)O
InChI KeyJTZLRSLCEFXNLL-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
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • carboxamide group
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound