Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:43:36 UTC
Update Date2025-03-21 18:49:21 UTC
HMDB IDHMDB0245043
Metabolite Identification
DeepMet IDDMID00166001
Name2-Butenoic acid, ethenyl ester
Frequency14.2
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESC=COC(=O)C=CC
InChI KeyIYNRVIKPUTZSOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • enol esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound