Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:35 UTC
Update Date2025-03-21 18:39:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123673
Frequency20.8
Structure
Chemical FormulaC7H10O8
Molecular Mass222.0376
SMILESCC(O)(C(=O)O)C(O)(CC(=O)O)C(=O)O
InChI KeyTXKVMLMNDUKFKG-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
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • tricarboxylic acid or derivatives
  • hydroxy acid
  • tertiary alcohol
  • saccharide
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol