Hmdb loader

Showing information for DMID01410279

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:26:23 UTC
Update Date2025-03-24 20:19:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01410279
Frequency0.9
Structure
Chemical FormulaC3H3NO2
Molecular Mass85.0164
SMILESCC(=O)N=C=O
InChI KeyOCKPROYBCPQWJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • isocyanate
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound