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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:28:23 UTC
Update Date2025-03-24 20:46:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01558623
Frequency0.8
Structure
Chemical FormulaC4H7NO4
Molecular Mass133.0375
SMILESCC(O)C(=O)C[N+](=O)[O-]
InChI KeyJQTMHWHZWCWUQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • monosaccharide
  • organic 1,3-dipolar compound
  • alpha-hydroxy ketone
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • c-nitro compound
  • acyloin
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite