EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179927 - PE(12:0/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:179927
ChEBI NamePE(12:0/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68NO8P
Net Charge0
Average Mass685.924
Monoisotopic Mass685.46825
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-19,35H,3-10,12,14,17,20-34,38H2,1-2H3,(H,41,42)/b13-11-,16-15-,19-18-/t35-/m1/s1
InChIKeyXJYJXGGJVCRAHA-HHJFGUBLSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(12:0/20:3(8Z,11Z,14Z)) (CHEBI:179927) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
LMGP02010374LIPID MAPS