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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:00 UTC
Update Date2025-03-25 00:47:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162412
Frequency0.5
Structure
Chemical FormulaC8H13NO5
Molecular Mass203.0794
SMILESO=C(O)CC(=O)CN=C(O)CCCO
InChI KeyJPBDHVIDARLPIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboximidic acids
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • short-chain keto acid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • beta-keto acid
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound