EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178756 - PE(17:2(9Z,12Z)/19:0)

ChEBI IDCHEBI:178756
ChEBI NamePE(17:2(9Z,12Z)/19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H78NO8P
Net Charge0
Average Mass744.048
Monoisotopic Mass743.54651
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,39H,3-9,11,13-15,17,19-38,42H2,1-2H3,(H,45,46)/b12-10-,18-16-/t39-/m1/s1
InChIKeyAFZXTEHTIGADNN-FXEHLHKKSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(17:2(9Z,12Z)/19:0) (CHEBI:178756) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropan-2-yl] nonadecanoate
Manual XrefsDatabases
LMGP02010607LIPID MAPS