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

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ChEBI Name PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:137295
ChEBI ASCII Name PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H76NO8P
Net Charge 0
Average Mass 790.062
Monoisotopic Mass 789.53086
InChI InChI=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
InChIKey MIEYBHWKRILIAE-JUUZHAOZSA-N
SMILES [C@](COC(=O)CCCCCCCCC/C=C\CCCCCC)(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)([H])COP(OCCN)(O)=O
Roles Classification
Biological Role(s): Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
(via phosphatidylethanolamine (18:1/22:6) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-phosphoethanolamine ChEBI
Manual Xref Database
HMDB0009045 HMDB
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Last Modified
05 June 2017