Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:13:55 UTC
Update Date2025-03-21 19:07:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00236411
Frequency9.0
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESC=C(O)C(=O)OCC
InChI KeyPSYUBHDPOIZRST-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound