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CHEBI:86186 - 1-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86186
ChEBI Name1-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (11Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC46H80NO8P
Net Charge0
Average Mass806.119
Monoisotopic Mass805.56216
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H80NO8P/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/h8,10,14,16-17,19-20,22,25,27,31,33,44H,6-7,9,11-13,15,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
InChIKeyBLXFIBZJVTVAKI-BLPZMAMRSA-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-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86186) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
1-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86186) has functional parent cis-vaccenic acid (CHEBI:50464)
1-[(11Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86186) is a phosphatidylcholine 38:6 (CHEBI:64519)
IUPAC Name 
(2R)-2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-3-{[(11Z)-octadec-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:1n7/20:5n3)HMDB
PC(18:1w7/20:5w3)HMDB
Phosphatidylcholine(18:1n7/20:5n3)HMDB
Phosphatidylcholine(18:1w7/20:5w3)HMDB
GPCho(18:1w7/20:5w3)HMDB
GPCho(18:1n7/20:5n3)HMDB
Manual XrefsDatabases
HMDB0008083HMDB
LMGP01010844LIPID MAPS