Hmdb loader

Showing information for DMID00502872

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:07:23 UTC
Update Date2025-03-21 22:09:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00502872
Frequency3.4
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESCC=C(C)C[N+](=O)[O-]
InChI KeyNMAXPMWBLQQTFM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent c-nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite