Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 05:31:02 UTC
Update Date2025-03-24 14:27:44 UTC
HMDB IDHMDB0041491
Metabolite Identification
DeepMet IDDMID00845416
Name3-(Methylthio)butanal
Frequency1.7
Structure
Chemical FormulaC5H10OS
Molecular Mass118.0452
SMILESCSC(C)CC=O
InChI KeyNCBDFIPMWRKPDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • organic oxide
  • alpha-hydrogen aldehyde
  • thioether
  • hydrocarbon derivative