Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:49 UTC
Update Date2025-03-25 01:00:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244332
Frequency0.5
Structure
Chemical FormulaC13H23NO4
Molecular Mass257.1627
SMILESCCCC=CCC(O)=NOC(CCCC)C(=O)O
InChI KeyGBYOXRKNNNXYBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • amino fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organic nitrogen compound
  • organooxygen compound