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CHEBI:189602 - PC(41:6)

ChEBI IDCHEBI:189602
ChEBI NamePC(41:6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H86NO8P
Net Charge0
Average Mass848.200
Monoisotopic Mass847.60911
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)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3,4)5)58-49(52)42-40-38-36-34-32-30-27-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35-/t47-/m1/s1
InChIKeyHRPRHMPJUIFSCB-KYPHJRDXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
serum (BTO:0000133) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
heart (BTO:0000562) MetaboLights (MTBLS1887)
ChEBI Ontology
Outgoing Relation(s)
PC(41:6) (CHEBI:189602) 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-nonadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
113375291ChemSpider
LMGP01012113LIPID MAPS