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CHEBI:187646 - PC(22:0/26:0)

ChEBI IDCHEBI:187646
ChEBI NamePC(22:0/26:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H112NO8P
Net Charge0
Average Mass958.485
Monoisotopic Mass957.81256
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/t54-/m1/s1
InChIKeySMPIPCCPMRDWAX-AXAMJWTMSA-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(22:0/26:0) (CHEBI:187646) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-3-docosanoyloxy-2-hexacosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMGP01011107LIPID MAPS
24822695ChemSpider