Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:39:39 UTC
Update Date2025-03-21 22:53:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00579579
Frequency2.8
Structure
Chemical FormulaC3H8N2O3
Molecular Mass120.0535
SMILESCN(CCO)[N+](=O)[O-]
InChI KeyDBUBPYBIVRGOIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent nitramines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • nitramine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite
  • alkanolamine