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CHEBI:86137 - 1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86137
ChEBI Name1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively.
Last Modified4 January 2021
Submitternamrata
DownloadsMolfile
FormulaC44H78NO8P
Net Charge0
Average Mass780.081
Monoisotopic Mass779.54651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
InChIKeyKLTHQSWIRFFBRI-CPFPVJFHSA-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-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86137) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86137) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86137) is a phosphatidylcholine 36:5 (CHEBI:64504)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))LIPID MAPS
PC(16:0/20:5n3)HMDB
Phosphatidylcholine(16:0/20:5n3)HMDB
Phosphatidylcholine(16:0/20:5)HMDB
GPCho(16:0/20:5w3)HMDB
GPCho(16:0/20:5n3)HMDB
UniProt Name  Source
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010633LIPID MAPS
HMDB0007984HMDB