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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:51:28 UTC
Update Date2025-03-24 21:22:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01757626
Frequency0.7
Structure
Chemical FormulaC51H92NO6PS
Molecular Mass877.6383
SMILESCCCCCC=CCC=CC=CC=CC(COP(=O)(O)O)SCC(NC(=O)CCCCCCCC=CCCCCCC)C(O)CCCCCCCC=CCCCCCCC
InChI KeyJWXFHMORPMMDLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent monoalkyl phosphates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound