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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:22 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177080
Frequency0.5
Structure
Chemical FormulaC5H8NO4+
Molecular Mass146.0448
SMILESO=C(O)C1CCC[N+](=O)O1
InChI KeyYFIRVRFGDCKITC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazinanes
Subclass 1,2-oxazinanes
Direct Parent 1,2-oxazinanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic cations
  • organic nitro compounds
  • organic oxides
  • organic oxoazanium compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • 1,2-oxazinane
  • carboxylic acid derivative
  • n-organohydroxylamine
  • organic nitro compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound