Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:02 UTC
Update Date2025-03-25 00:50:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180894
Frequency0.5
Structure
Chemical FormulaC6H10O4
Molecular Mass146.0579
SMILESO=C(O)CC=C(CO)CO
InChI KeyJWAZEITWDMGQOL-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
  • alcohols and polyols
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organooxygen compound