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CHEBI:137295 - PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Default Structure
ChEBI IDCHEBI:137295
ChEBI NamePE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
ASCII NamePE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Last Modified5 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC45H76NO8P
Net Charge0
Average Mass790.076
Monoisotopic Mass789.53086
SMILES[H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCC)(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
InChIInChI=1S/C45H76NO8P/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/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,43H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t43-/m1/s1
InChIKeyMIEYBHWKRILIAE-JUUZHAOZSA-N
Roles Classification
Biological Role:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137295) is a phosphatidylethanolamine (18:1/22:6) (CHEBI:136175)
Synonym  Source
1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineChEBI
Manual XrefsDatabases
HMDB0009045HMDB