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CHEBI:184132 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:184132
ChEBI NamePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H80NO8P
Net Charge0
Average Mass830.141
Monoisotopic Mass829.56216
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,28,30,34,36,46H,6-7,9,11-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,30-28-,36-34-/t46-/m1/s1
InChIKeyCRMDHZOCLIGOEV-HVMWQSSESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) (CHEBI:184132) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01012109LIPID MAPS
24767391ChemSpider
HMDB0008730HMDB