Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:52:46 UTC
Update Date2025-03-24 14:37:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00896993
Frequency1.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESC=CC(O)(C=C)CC(=O)O
InChI KeyFIHMEJPQBUXRFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent hydroxy fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain hydroxy acids and derivatives
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • branched fatty acid
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organooxygen compound