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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:58 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171514
Frequency0.5
Structure
Chemical FormulaC10H21NO7
Molecular Mass267.1318
SMILESCN(C)CCOC(=O)C(O)C(O)C(O)C(O)CO
InChI KeyKXMFPEDVUQAJTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
  • trialkylamines
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • amino acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • tertiary amine
  • alcohol
  • tertiary aliphatic amine
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound