Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-21 06:11:25 UTC
Update Date2025-03-24 16:42:42 UTC
HMDB IDHMDB0250611
Metabolite Identification
DeepMet IDDMID00941736
NameCyanohydroxybutene
Frequency1.5
Structure
Chemical FormulaC5H7NO
Molecular Mass97.0528
SMILESCCC=C(O)C#N
InChI KeyWJTPWAHVZOSBBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic cyanides
Direct Parent cyanohydrins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxynitriles
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • organic oxygen compound
  • alpha-hydroxynitrile
  • organopnictogen compound
  • hydrocarbon derivative
  • cyanohydrin
  • organooxygen compound