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CHEBI:186271 - PC(22:2(13Z,16Z)/22:0)

ChEBI IDCHEBI:186271
ChEBI NamePC(22:2(13Z,16Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H100NO8P
Net Charge0
Average Mass898.345
Monoisotopic Mass897.71866
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,50H,6-13,15,17-19,21,23-49H2,1-5H3/b16-14-,22-20-/t50-/m1/s1
InChIKeyYCDLJHRXGRSIFK-LVDJSSFOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PC(22:2(13Z,16Z)/22:0) (CHEBI:186271) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-docosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01012061LIPID MAPS
24767271ChemSpider
HMDB0008610HMDB