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CHEBI:190167 - PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:190167
ChEBI NamePC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO7P
Net Charge0
Average Mass818.174
Monoisotopic Mass817.59854
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,25-26,29,31,35,37,40,43,47H,6-13,15,18,21,23-24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14-,19-17-,22-20-,26-25-,31-29-,37-35-,43-40-/t47-/m1/s1
InChIKeyJRDVRIGVIDMJLK-FGKXMKNWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:190167) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0011293HMDB
24767568ChemSpider