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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:57:38 UTC
Update Date2025-03-25 01:15:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02333665
Frequency0.5
Structure
Chemical FormulaC70H128O28P2
Molecular Mass1478.8067
SMILESCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(OP(=O)(O)O)C(C(O)CO)OC(COC2(C(=O)O)OC(C(=O)O)C(O)C(O)C2O)C(OP(=O)(O)O)C1OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI KeyUGWFLJXQUOOSLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass hexacarboxylic acids and derivatives
Direct Parent hexacarboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dialkyl ethers
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • ketals
  • monoalkyl phosphates
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • dialkyl ether
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • oxane
  • hexacarboxylic acid or derivatives
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • oxepane
  • oxacycle
  • fatty acid ester
  • organic oxygen compound
  • phosphoric acid ester
  • pyran
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound