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CHEBI:86183 - 1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86183
ChEBI Name1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl and (9Z)-octadecenoyl 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)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,30,32,44H,6-7,9,11-13,15,17-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
InChIKeyJZKMYCPNBSRARO-YMBRLFDISA-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-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86183) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86183) has functional parent oleic acid (CHEBI:16196)
1-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine (CHEBI:86183) is a phosphatidylcholine 38:6 (CHEBI:64519)
IUPAC Name 
(2R)-3-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
GPCho(20:5n3/18:1n9)HMDB
GPCho(20:5w3/18:1w9)HMDB
Phosphatidylcholine(20:5w3/18:1w9)HMDB
PC(20:5w3/18:1w9)HMDB
PC(20:5n3/18:1n9)HMDB
1-Eicosapentaenoyl-2-oleoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
HMDB0008499HMDB
LMGP01011057LIPID MAPS