Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:53 UTC
Update Date2025-03-21 18:06:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00061934
Frequency50.2
Structure
Chemical FormulaC9H14O7
Molecular Mass234.074
SMILESCC(C(=O)O)C(O)(CCC(=O)O)CC(=O)O
InChI KeyHBSDKQLAZFMDIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • tertiary alcohol
  • organic oxide
  • carboxylic acid
  • organic oxygen compound
  • hydrocarbon derivative
  • tricarboxylic acid or derivatives
  • organooxygen compound