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CHEBI:139599 - 1-hexadecanoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:139599
ChEBI Name1-hexadecanoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are palmitoyl (hexadecanoyl) and (9E,13E)-octadeca-9,13-dienoyl respectively.
Last Modified26 February 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCC/C=C/CC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h12,14,20-21,40H,6-11,13,15-19,22-39H2,1-5H3/b14-12+,21-20+/t40-/m1/s1
InChIKeyASESWCYRACUPJV-SFRGZXRASA-N
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholine (CHEBI:139599) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(9E,13E)-octadeca-9,13-dienoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
2-[(9E,13E)-octadeca-9,13-dienoyl]-1-palmitoyl-sn-glycero-3-phosphocholineChEBI
1-palmitoyl-2-[(9E,13E)-octadeca-9,13-dienoyl]-sn-glycero-3-phosphocholineChEBI
(2-{[(2R)-3-(hexadecanoyloxy)-2-[(9E,13E)-octadeca-9,13-dienoyloxy]propylphosphonato]oxy}ethyl)trimethylazaniumChEBI
Citations