CHEBI:74487 - 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:74487
ChEBI ASCII Name 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine
Definition A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as (11Z)-octadecenoyl and (13Z,16Z)-docosadienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H84NO8P
Net Charge 0
Average Mass 798.12410
Monoisotopic Mass 797.59346
InChI InChI=1S/C45H84NO8P/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/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1
InChIKey CYQKHPZVMRGJPJ-PLUDNLSZSA-N
SMILES [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC
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.
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ChEBI Ontology
Outgoing 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine (CHEBI:74487) has role metabolite (CHEBI:25212)
1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine (CHEBI:74487) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
(7Z,21R)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacos-7-en-21-yl (13Z,16Z)-docosa-13,16-dienoate
Synonyms Sources
1-Vaccenoyl-2-docosadienoyl-sn-glycero-3-phosphoethanolamine HMDB
GPEtn(18:1(11Z)/22:2(13Z,16Z)) ChEBI
GPEtn(18:1/22:2) HMDB
GPEtn(40:3) HMDB
PE(18:1(11Z)/22:2(13Z,16Z)) ChEBI
PE(18:1/22:2) HMDB
PE(18:1ω7/22:2ω6) HMDB
PE(40:3) HMDB
phosphatidylethanolamine(18:1(11Z)/22:2(13Z,16Z)) ChEBI
Phosphatidylethanolamine(18:1/22:2) HMDB
Phosphatidylethanolamine(18:1ω7/22:2ω6) HMDB
Phosphatidylethanolamine(40:3) HMDB
Manual Xref Database
HMDB0009041 HMDB
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Last Modified
19 June 2015