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CHEBI:186439 - PC(O-20:0/21:0)

ChEBI IDCHEBI:186439
ChEBI NamePC(O-20:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H100NO7P
Net Charge0
Average Mass846.313
Monoisotopic Mass845.72374
SMILESCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(51)57-48(47-56-58(52,53)55-45-43-50(3,4)5)46-54-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/t48-/m1/s1
InChIKeyDOCKGXUQHKFUDF-QSCHNALKSA-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(O-20:0/21:0) (CHEBI:186439) is a 1-alkyl-2-acyl-glycero-3-phosphocholine (CHEBI:78186)
IUPAC Name 
[(2R)-2-henicosanoyloxy-3-icosoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
113375338ChemSpider
LMGP01020240LIPID MAPS