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CHEBI:131665 - 1-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:131665
ChEBI Name1-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-octadecanoyl-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 octadecanoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively.
Last Modified16 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC45H80NO8P
Net Charge0
Average Mass794.108
Monoisotopic Mass793.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C45H80NO8P/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/h11,13,17,19,21-22,26,28,32,34,43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
InChIKeyDPRXQVIZBLENFV-NPQRSGSQSA-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-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131665) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
1-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131665) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131665) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine (CHEBI:131665) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(21R)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Synonyms  Source
PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))ChEBI
1-stearoyl-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamineChEBI
GPEtn(18:0/22:5n6)HMDB
1-Stearoyl-2-docosapentaenoyl-sn-glycero-3-phosphoethanolamineHMDB
Phosphatidylethanolamine(18:0/22:5n6)HMDB
GPEtn(18:0/22:5)HMDB
Manual XrefsDatabases
24768485ChemSpider
HMDB0009010HMDB
Registry NumbersSources
Reaxys:30084831Reaxys
Citations