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CHEBI:86178 - 1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86178
ChEBI Name1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z)-eicosatrienoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC46H84NO8P
Net Charge0
Average Mass810.151
Monoisotopic Mass809.59346
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20-22,24-25,27,31,33,44H,6-19,23,26,28-30,32,34-43H2,1-5H3/b22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
InChIKeyAPIPSPZJMLSCBO-NRTPYZNRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86178) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86178) has functional parent oleic acid (CHEBI:16196)
1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86178) is a phosphatidylcholine 38:4 (CHEBI:64526)
IUPAC Name 
(2R)-2-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:1(9Z)/20:3(5Z,8Z,11Z))LIPID MAPS
PC(18:1n9/20:3n9)HMDB
GPCho(18:1w9/20:3w9)HMDB
Phosphatidylcholine(18:1n9/20:3n9)HMDB
1-Oleoyl-2-meadoyl-sn-glycero-3-phosphocholineHMDB
GPCho(18:1/20:3)HMDB
Manual XrefsDatabases
LMGP01010904LIPID MAPS
HMDB0008112HMDB