Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:57:54 UTC
Update Date2025-03-21 22:02:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00480105
Frequency3.6
Structure
Chemical FormulaC5H8O2
Molecular Mass100.0524
SMILESCC=C(C)OC=O
InChI KeyABTNXUWRSBGWDX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enol esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound