Hmdb loader

Showing information for DMID00048902

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:19 UTC
Update Date2025-03-21 18:04:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048902
Frequency67.6
Structure
Chemical FormulaC7H10O6
Molecular Mass190.0477
SMILESO=CC(O)(CCC(=O)O)CC(=O)O
InChI KeyNHPNAPACKOLRAF-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
  • alpha-hydroxyaldehydes
  • branched fatty acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • organic oxides
  • tertiary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • aldehyde
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • tertiary alcohol
  • organic oxide
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound