EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192331 - PC(P-18:1(9Z)/14:1(9Z))

Default Structure
ChEBI IDCHEBI:192331
ChEBI NamePC(P-18:1(9Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO7P
Net Charge0
Average Mass714.022
Monoisotopic Mass713.53594
SMILESCCCC/C=C\CCCCCCCC(=O)OC(CO/C=C\CCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/b15-13-,20-19-,35-32-
InChIKeyHBSHQXCUTWXTCM-WLTDODEOSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(9Z)/14:1(9Z)) (CHEBI:192331) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[3-[(1Z,9Z)-octadeca-1,9-dienoxy]-2-[(Z)-tetradec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767578ChemSpider
HMDB0011303HMDB