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CHEBI:86437 - 1-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86437
ChEBI Name1-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine O-36:5 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively.
Last Modified13 July 2015
Submitternamrata
DownloadsMolfile
FormulaC44H80NO7P
Net Charge0
Average Mass766.098
Monoisotopic Mass765.56724
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
InChIKeyYHSSHPWVFALMBA-IARQOZKNSA-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-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86437) has functional parent all-cis-5,8,11,14,17-icosapentaenoic acid (CHEBI:28364)
1-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86437) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86437) is a phosphatidylcholine O-36:5 (CHEBI:64540)
IUPAC Name 
(2R)-3-(hexadecyloxy)-2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))LIPID MAPS
Manual XrefsDatabases
LMGP01020058LIPID MAPS