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CHEBI:131662 - 1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:131662
ChEBI Name1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as (11Z,14Z)-icosadienoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC47H80NO8P
Net Charge0
Average Mass818.130
Monoisotopic Mass817.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,34,36,45H,3-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
InChIKeyYKGWPFOSRMGOGZ-BDJNJYPGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- PubMed (27471436)
- MetaboLights (MTBLS334)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131662) has functional parent (11Z,14Z)-icosadienoic acid (CHEBI:73731)
1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131662) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131662) has role mouse metabolite (CHEBI:75771)
1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131662) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(6Z,9Z,23R)-29-amino-26-hydroxy-20,26-dioxo-21,25,27-trioxa-26λ5-phosphanonacosa-6,9-dien-23-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Synonyms  Source
PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))ChEBI
Phosphatidylethanolamine(42:7)HMDB
Phosphatidylethanolamine(20:2n6/22:5n6)HMDB
PE(20:2w6/22:5w6)HMDB
Phosphatidylethanolamine(20:2/22:5)HMDB
Phosphatidylethanolamine(20:2w6/22:5w6)HMDB
Manual XrefsDatabases
24768758ChemSpider
HMDB0009307HMDB
Citations