EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196668 - PE(15:0/18:2(9Z,12Z))

ChEBI IDCHEBI:196668
ChEBI NamePE(15:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H72NO8P
Net Charge0
Average Mass701.967
Monoisotopic Mass701.49955
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C38H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,36H,3-10,12,14-16,19-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-/t36-/m1/s1
InChIKeyQAXAIGXHZKFJPP-QYTRANCOSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(15:0/18:2(9Z,12Z)) (CHEBI:196668) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP02011232LIPID MAPS
HMDB0008895HMDB
24768398ChemSpider