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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:56:36 UTC
Update Date2025-03-24 19:49:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01050025
Frequency1.3
Structure
Chemical FormulaC4H6N2O3
Molecular Mass130.0378
SMILESCC(=O)C(N)=C[N+](=O)[O-]
InChI KeyLQZWKXLNJCGSLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • c-nitro compounds
  • enones
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite
  • enone