CHEBI:86248 - 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86248
ChEBI ASCII Name 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine O-38:6 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H82NO7P
Net Charge 0
Average Mass 792.11950
Monoisotopic Mass 791.58289
InChI InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-/t45-/m1/s1
InChIKey QQQQNYAHSSIZBU-HIQXTUQZSA-N
SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine O-38:6 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86248) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86248) is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine (CHEBI:36702)
1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine (CHEBI:86248) is a phosphatidylcholine O-38:6 (CHEBI:64536)
IUPAC Name
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Palmityl-2-docosahexaenoyl-sn-glycero-3-phosphocholine HMDB
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
Manual Xrefs Databases
HMDB0013409 HMDB
LMGP01020064 LIPID MAPS
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Last Modified
23 October 2015