EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178522 - PE(13:0/22:2(13Z,16Z))

ChEBI IDCHEBI:178522
ChEBI NamePE(13:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-14-12-10-8-6-4-2/h11,13,16-17,38H,3-10,12,14-15,18-37,41H2,1-2H3,(H,44,45)/b13-11-,17-16-/t38-/m1/s1
InChIKeyUPHGQGQEXSZGMI-SLEUEIPZSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(13:0/22:2(13Z,16Z)) (CHEBI:178522) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP02010403LIPID MAPS