Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:17 UTC
Update Date2025-03-21 18:36:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111040
Frequency24.0
Structure
Chemical FormulaC5H8O6
Molecular Mass164.0321
SMILESO=C(O)COCC(O)C(=O)O
InChI KeyITJAQXXRUUJGFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent sugar acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • hydroxy acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • glyceric_acid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative