Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:51:24 UTC
Update Date2025-03-21 20:05:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00322826
Frequency6.0
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESCC(=O)OC(O)C(C)=O
InChI KeyLBOLMEABDOYQGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • alpha-acyloxy ketone
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hemiacetal
  • hydrocarbon derivative