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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:01 UTC
Update Date2025-03-21 18:38:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122403
Frequency21.1
Structure
Chemical FormulaC13H23NO9
Molecular Mass337.1373
SMILESO=C(O)C(CCCCNCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI KeyRMWOBGFHDSNCLR-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 heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • amino acids
  • amino fatty acids
  • branched fatty acids
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • tetrahydrofuran
  • secondary amine
  • amino fatty acid
  • branched fatty acid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound
  • amine