Hmdb loader

Showing information for DMID00830295

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:24:45 UTC
Update Date2025-03-24 14:18:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00830295
Frequency1.8
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESO=C=NCCCCO
InChI KeyBMUHOFDRLRKTBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • isocyanate
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound