EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178524 - PE(17:0/18:2(9Z,12Z))

ChEBI IDCHEBI:178524
ChEBI NamePE(17:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,38H,3-10,12,14-16,18,20-37,41H2,1-2H3,(H,44,45)/b13-11-,19-17-/t38-/m1/s1
InChIKeyUJCJWIHZUHMDIT-YQIUVMGYSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(17:0/18:2(9Z,12Z)) (CHEBI:178524) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP02010546LIPID MAPS