CHEBI:86182 - 1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86182
ChEBI ASCII Name 1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and hexadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H80NO8P
Net Charge 0
Average Mass 806.10310
Monoisotopic Mass 805.56216
InChI InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,17-19,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
InChIKey YALZVLCVXOASDL-FZGNBNATSA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C
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 38:6 )
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ChEBI Ontology
Outgoing 1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86182) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86182) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:86182) is a phosphatidylcholine 38:6 (CHEBI:64519)
Synonyms Sources
1-Docosahexaenoyl-2-palmitoyl-sn-glycero-3-phosphocholine HMDB
GPCho(22:6n3/16:0) HMDB
GPCho(22:6w3/16:0) HMDB
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) LIPID MAPS
PC(22:6n3/16:0) HMDB
PC(22:6w3/16:0) HMDB
Phosphatidylcholine(22:6n3/16:0) HMDB
Phosphatidylcholine(22:6w3/16:0) HMDB
Manual Xrefs Databases
HMDB0008725 HMDB
LMGP01011116 LIPID MAPS
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Last Modified
23 October 2015