Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:34:29 UTC
Update Date2025-03-21 17:56:38 UTC
HMDB IDHMDB0012157
Metabolite Identification
DeepMet IDDMID00002590
Name3-Methyl-2-butenal
Frequency2331.0
Structure
Chemical FormulaC5H8O
Molecular Mass84.0575
SMILESCC(C)=CC=O
InChI KeySEPQTYODOKLVSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent short-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • short-chain aldehyde
  • hydrocarbon derivative