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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:39:53 UTC
Update Date2025-03-24 22:18:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01153611
Frequency1.2
Structure
Chemical FormulaC45H88NO19P3
Molecular Mass1039.5163
SMILESCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(OP(=O)(O)O)OC(OP(=O)(O)O)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI KeyUGQDFFPLHKKWFG-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 heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound