EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179930 - PE(20:3(8Z,11Z,14Z)/12:0)

ChEBI IDCHEBI:179930
ChEBI NamePE(20:3(8Z,11Z,14Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H68NO8P
Net Charge0
Average Mass685.924
Monoisotopic Mass685.46825
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-21-12-10-8-6-4-2/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
InChIKeyXHZCVJOEDIGJKT-HHJFGUBLSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(20:3(8Z,11Z,14Z)/12:0) (CHEBI:179930) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
LMGP02010902LIPID MAPS