Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:31:27 UTC
Update Date2025-03-21 20:58:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00417628
Frequency4.3
Structure
Chemical FormulaC4H12N2O2+2
Molecular Mass120.0888
SMILESC[N+](C)(C)C[N+](=O)O
InChI KeyBSSPTRNGLKGVRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • organic nitro compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic oxoazanium
  • organic salt
  • organic hyponitrite