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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:15 UTC
Update Date2025-03-25 00:58:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229318
Frequency0.5
Structure
Chemical FormulaC22H44O12P2
Molecular Mass562.2308
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OP(=O)(O)OCC(O)CO
InChI KeyVSKJDOQZFHPKMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • glycerophospholipids
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • organic pyrophosphate
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • glycerophospholipid
  • hydrocarbon derivative
  • primary alcohol
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound