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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:08 UTC
Update Date2025-03-25 00:57:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224756
Frequency0.5
Structure
Chemical FormulaC4H9N2O4+
Molecular Mass149.0557
SMILESN[N+](=O)CC(O)CC(=O)O
InChI KeyQYBLYSNPNGEJIZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound