EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179017 - PE(22:1(11Z)/15:1(9Z))

ChEBI IDCHEBI:179017
ChEBI NamePE(22:1(11Z)/15:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80NO8P
Net Charge0
Average Mass758.075
Monoisotopic Mass757.56216
SMILESCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h12,14,19-20,40H,3-11,13,15-18,21-39,43H2,1-2H3,(H,46,47)/b14-12-,20-19-/t40-/m1/s1
InChIKeyIBYUNMZYOCHXTH-PEPNTOMSSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(22:1(11Z)/15:1(9Z)) (CHEBI:179017) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP02011045LIPID MAPS