EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178510 - PE(22:2(13Z,16Z)/13:0)

ChEBI IDCHEBI:178510
ChEBI NamePE(22:2(13Z,16Z)/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-24-14-12-10-8-6-4-2/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
InChIKeyNCCNFYRWPZOXNO-SLEUEIPZSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/13:0) (CHEBI:178510) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP02011072LIPID MAPS