Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:49:15 UTC
Update Date2025-03-21 18:02:11 UTC
HMDB IDHMDB0033377
Metabolite Identification
DeepMet IDDMID00036756
Namecis-3-Hexenyl butyrate
Frequency96.0
Structure
Chemical FormulaC10H18O2
Molecular Mass170.1307
SMILESCCC=CCCOC(=O)CCC
InChI KeyZCHOPXVYTWUHDS-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
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • fatty acid ester
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound