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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:01 UTC
Update Date2025-03-25 00:58:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231047
Frequency0.5
Structure
Chemical FormulaC9H17NO3
Molecular Mass187.1208
SMILESCCN(CC)CCOC(=O)C(C)=O
InChI KeyWJIDNVZAQJPWKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • amino acid or derivatives
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound