CHEBI:84812 - 1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84812
ChEBI ASCII Name 1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:7 in which the acyl groups at C-1 and C-2 are (11Z)-octadecenoyl 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 C48H82NO8P
Net Charge 0
Average Mass 832.14030
Monoisotopic Mass 831.57781
InChI InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,18,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
InChIKey ZEAKXAXFIRHBSN-WDYLLCCDSA-N
SMILES CCCCCC\C=C/CCCCCCCCCC(=O)OC[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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 40:7 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:84812) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:84812) has functional parent cis-vaccenic acid (CHEBI:50464)
1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:84812) has role mouse metabolite (CHEBI:75771)
1-[(11Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:84812) is a phosphatidylcholine 40:7 (CHEBI:64521)
IUPAC Name
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-Vaccenoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/22:6) HMDB
GPCho(18:1n7/22:6n3) HMDB
GPCho(18:1w7/22:6w3) HMDB
PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
PC(18:1/22:6) LIPID MAPS
PC(18:1n7/22:6n3) HMDB
PC(18:1w7/22:6w3) HMDB
Phosphatidylcholine(18:1/22:6) HMDB
Phosphatidylcholine(18:1n7/22:6n3) HMDB
Manual Xrefs Databases
HMDB0008090 HMDB
LMGP01010847 LIPID MAPS
View more database links
Last Modified
16 February 2015