Hmdb loader

Showing information for DMID00015601

Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:40:05 UTC
Update Date2025-03-21 17:58:37 UTC
HMDB IDHMDB0255646
Metabolite Identification
DeepMet IDDMID00015601
NameNitroethane
Frequency277.6
Structure
Chemical FormulaC2H5NO2
Molecular Mass75.032
SMILESCC[N+](=O)[O-]
InChI KeyMCSAJNNLRCFZED-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