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CHEBI:137312 - PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:137312
ChEBI NamePE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
ASCII NamePE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Last Modified6 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC47H80NO8P
Net Charge0
Average Mass818.130
Monoisotopic Mass817.56216
SMILES[H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(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/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/h5,7,11,13,17-20,22,24,28,30,34,36,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1
InChIKeyXRZUHOFZIRSWMJ-HYRAUDIFSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137312) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
Synonym  Source
1-(11Z-eicosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoethanolamineLIPID MAPS
Manual XrefsDatabases
LMGP02010870LIPID MAPS
HMDB0009276HMDB