CHEBI:133664 - 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:133664
ChEBI ASCII Name 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Definition A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl 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 C48H84NO7P
Net Charge 0
Average Mass 818.159
Monoisotopic Mass 817.59854
InChI InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,40,43,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
InChIKey TXHZYNSTTCIWMJ-RXSQUPBGSA-N
SMILES [C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(CO/C=C\CCCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-]
ChEBI Ontology
Outgoing 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:133664) is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:77286)
IUPAC Name
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-(1-Enyl-palmitoyl)-2-docosahexaenoyl-sn-glycero-3-phosphocholine HMDB
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPC ChEBI
1-(1-enyl-stearoyl)-2-docosahexaenoyl-GPC (P-18:0/22:6) ChEBI
1-[(1Z)-octadecenyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine ChEBI
GPC(P-18:0/22:6) ChEBI
PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
PC(P-18:0/22:6) LIPID MAPS
phosphatidylcholine(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) ChEBI
phosphatidylcholine(P-18:0/22:6) ChEBI
Manual Xrefs Databases
HMDB0011229 HMDB
LMGP01030014 LIPID MAPS
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Last Modified
06 October 2016