EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171845 - PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:171845
ChEBI NamePC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H92NO7P
Net Charge0
Average Mass850.260
Monoisotopic Mass849.66114
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,35,37,49H,6-14,16,18-19,24-28,30,32-34,36,38-48H2,1-5H3/b17-15-,22-20-,23-21-,31-29-,37-35-/t49-/m1/s1
InChIKeyOQRGDDBNUMCNLP-ABEXPZPBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:171845) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-3-[(Z)-docos-13-enoxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0013451HMDB
35032633ChemSpider