Hmdb loader

Showing information for DMID01225493

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:09:06 UTC
Update Date2025-03-24 22:31:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01225493
Frequency1.1
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESC=CNC(C)=C[N+](=O)[O-]
InChI KeyXXHMPSKTUCXQNF-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
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • 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
  • amine
  • organic hyponitrite