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CHEBI:190201 - PC(22:5/22:6)

ChEBI IDCHEBI:190201
ChEBI NamePC(22:5/22:6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H81NO8P
Net Charge+1
Average Mass891.204
Monoisotopic Mass890.56943
SMILESCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC=CCC=CCC=CCC=CCC=CCC=CCCC
InChIInChI=1S/C53H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54(3,4)5)62-53(56)46-44-42-40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-7-2/h6,8,11-14,17-20,23-26,29-32,35-38,41-44,51H,7,9-10,15-16,21-22,27-28,33-34,39-40,45-50H2,1-5H3/p+1/t51-/m1/s1
InChIKeyMFXBADXAOFHUIV-NLXJDERGSA-O
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
PC(22:5/22:6) (CHEBI:190201) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
2-[[(2R)-2-docosa-3,6,9,12,15,18-hexaenoyloxy-3-tricosa-3,6,9,12,15,18,21-heptaenoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium