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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:11 UTC
Update Date2025-03-21 18:36:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110801
Frequency24.0
Structure
Chemical FormulaC6H12N2O4
Molecular Mass176.0797
SMILESNCC(O)CCC(=NO)C(=O)O
InChI KeyZJNWYKZNOVVBNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • ketoximes
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • ketoxime
  • carboxylic acid derivative
  • amino fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound