EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145857 - PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:145857
ChEBI NamePE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
Submittermwilliams
DownloadsMolfile
FormulaC49H82NO8P
Net Charge0
Average Mass844.168
Monoisotopic Mass843.57781
SMILES[H][C@@](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(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/C49H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,47H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-/m1/s1
InChIKeyPZOFJKJVUSUYLU-FQZMMQODSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:145857) is a PE(22:2_22:6) (CHEBI:145856)
Synonym  Source
PE 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)SUBMITTER
Manual XrefsDatabases
LMGP02011101LIPID MAPS
HMDB0009573HMDB