Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:54 UTC
Update Date2025-03-25 01:00:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244542
Frequency0.5
Structure
Chemical FormulaC12H19NO6
Molecular Mass273.1212
SMILESCCCCCC=C(O)C(O)=NOC(=O)CCC(=O)O
InChI KeyPKACNLHKACVINR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass short-chain hydroxy acids and derivatives
Direct Parent short-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid salts
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic salt
  • carboxylic acid salt
  • organooxygen compound