Hmdb loader

Showing information for DMID00060729

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:23 UTC
Update Date2025-03-21 18:06:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00060729
Frequency51.5
Structure
Chemical FormulaC4H5NO
Molecular Mass83.0371
SMILESC=CCN=C=O
InChI KeyHXBPYFMVGFDZFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • isocyanate
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound