Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:56:58 UTC
Update Date2025-03-21 20:08:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00335839
Frequency5.7
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESCCC(=O)C(=O)CC=O
InChI KeyVIOZHXSHLWOADQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-diketones
  • alpha-hydrogen aldehydes
  • beta ketoaldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • medium-chain aldehyde
  • alpha-diketone
  • ketone
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative