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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:34:34 UTC
Update Date2025-03-25 00:20:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01286766
Frequency1.0
Structure
Chemical FormulaC5H8N2O3
Molecular Mass144.0535
SMILESCNC(=C[N+](=O)[O-])C(C)=O
InChI KeyYGRSBUGORFHHIO-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
  • dialkylamines
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • enone
  • alpha-branched alpha,beta-unsaturated-ketone
  • secondary aliphatic amine
  • organic 1,3-dipolar compound
  • secondary amine
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • amine
  • organic hyponitrite