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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:09:22 UTC
Update Date2025-03-24 19:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01079641
Frequency1.3
Structure
Chemical FormulaC62H119NO19P2
Molecular Mass1243.7852
SMILESCCCCCCCCCCCC(O)CC(=O)NC1C(OC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)C(OC(=O)CC(O)CCCCCCCCCCC)C1OP(=O)(O)O
InChI KeyHKUXMCFXGZOGNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • fatty amide
  • tricarboxylic acid or derivatives
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • cyclitol or derivatives
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound