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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:20 UTC
Update Date2025-03-25 00:52:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192864
Frequency0.5
Structure
Chemical FormulaC10H19NO5+
Molecular Mass233.1258
SMILESCCCCC(O)(CC(=O)O)C[N+](C)C(=O)O
InChI KeyPYVWTMMTGKPPHT-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
  • branched fatty acids
  • carbamic acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carbamic acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organic cation
  • alcohol
  • carbonic acid derivative
  • amino fatty acid
  • branched fatty acid
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound