EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170468 - PC(P-16:0/P-18:1(9Z))

ChEBI IDCHEBI:170468
ChEBI NamePC(P-16:0/P-18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82NO6P
Net Charge0
Average Mass728.093
Monoisotopic Mass727.58798
SMILESCCCCCCCC/C=C\CCCCCC/C=C\O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H82NO6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-47-42(41-49-50(44,45)48-39-36-43(3,4)5)40-46-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,34-35,37-38,42H,6-19,21,23-33,36,39-41H2,1-5H3/b22-20-,37-34-,38-35-/t42-/m1/s1
InChIKeyXNZRITUHRJESOL-BCZCSWKFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
PC(P-16:0/P-18:1(9Z)) (CHEBI:170468) is a glycerophosphocholine (CHEBI:36313)
IUPAC Name 
[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767510ChemSpider
HMDB0011235HMDB