CHEBI:84846 - 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:84846
ChEBI ASCII Name 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z,12Z)-octadecadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H74NO8P
Net Charge 0
Average Mass 740.00190
Monoisotopic Mass 739.51521
InChI InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39H,3-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
InChIKey SSCDRSKJTAQNNB-DWEQTYCFSA-N
SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84846) has functional parent linoleic acid (CHEBI:17351)
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84846) has role mouse metabolite (CHEBI:75771)
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84846) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84846) is conjugate acid of 1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:172403)
Incoming 1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:172403) is conjugate base of 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine (CHEBI:84846)
IUPAC Name
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms Sources
1,2-di-linoleoyl-sn-glycero-3-phosphoethanolamine ChEBI
GPEtn(18:2/18:2) HMDB
GPEtn(18:2n6/18:2n6) HMDB
GPEtn(18:2w6/18:2w6) HMDB
PE(18:2(9Z,12Z)/18:2(9Z,12Z)) LIPID MAPS
PE(18:2/18:2) LIPID MAPS
Phophatidylethanolamine(18:2/18:2) HMDB
Phophatidylethanolamine(18:2n6/18:2n6) HMDB
Phophatidylethanolamine(18:2w6/18:2w6) HMDB
Manual Xrefs Databases
HMDB0009093 HMDB
LMGP02010111 LIPID MAPS
View more database links
Last Modified
17 February 2015