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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:23 UTC
Update Date2025-03-25 00:51:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186196
Frequency0.5
Structure
Chemical FormulaC16H24O15
Molecular Mass456.1115
SMILESO=C(CCC(=O)OC1C(CO)OC(O)C(O)C1O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyLPGWMPNPLUAZRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • tricarboxylic acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • saccharolipid
  • organooxygen compound