Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:08 UTC
Update Date2025-03-21 17:58:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017852
Frequency234.5
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCC=C(C)C(=O)OC
InChI KeyYYJWBYNQJLBIGS-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
  • hydrocarbon derivatives
  • methyl esters
  • 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
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound