CHEBI:79109 - 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:79109
ChEBI ASCII Name 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H78NO8P
Net Charge 0
Average Mass 792.07650
Monoisotopic Mass 791.54651
InChI InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
InChIKey XYYHNDVKALDFHQ-OXHZBIAZSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
ChEBI Ontology
Outgoing 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79109) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79109) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79109) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79109) is tautomer of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78266)
Incoming 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78266) is tautomer of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:79109)
IUPAC Name
(21R)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Synonyms Sources
1-Octadecanoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine ChemIDplus
1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine ChemIDplus
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine ChemIDplus
GPEtn(18:0/22:6) HMDB
GPEtn(18:0/22:6n3) HMDB
GPEtn(18:0/22:6w3) HMDB
GPEtn(40:6) HMDB
PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
PE(18:0/22:6) LIPID MAPS
PE(18:0/22:6n3) HMDB
PE(18:0/22:6w3) HMDB
PE(40:6) HMDB
Phosphatidylethanolamine(18:0/22:6) HMDB
Phosphatidylethanolamine(18:0/22:6n3) HMDB
Phosphatidylethanolamine(18:0/22:6w3) HMDB
Phosphatidylethanolamine(40:6) HMDB
Manual Xrefs Databases
HMDB0009012 HMDB
LMGP02010094 LIPID MAPS
View more database links
Registry Numbers Types Sources
1279692-77-1 CAS Registry Number ChemIDplus
20544197 Reaxys Registry Number Reaxys
Last Modified
10 July 2014