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CHEBI:231166 - PC(24:0/18:3(10,12,15)-OH(9))

ChEBI IDCHEBI:231166
ChEBI NamePC(24:0/18:3(10,12,15)-OH(9))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H94NO9P
Net Charge0
Average Mass884.274
Monoisotopic Mass883.66662
SMILESCC/C=C/C/C=C/C=C/C(O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C50H94NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-33-37-41-49(53)57-45-48(46-59-61(55,56)58-44-43-51(3,4)5)60-50(54)42-38-34-30-32-36-40-47(52)39-35-31-28-13-11-9-7-2/h9,11,28,31,35,39,47-48,52H,6-8,10,12-27,29-30,32-34,36-38,40-46H2,1-5H3/b11-9+,31-28+,39-35+/t47?,48-/m1/s1
InChIKeyIEOSNZOKYNDCNK-DKLRGHEWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(24:0/18:3(10,12,15)-OH(9)) (CHEBI:231166) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
[(2R)-2-[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy-3-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0288682HMDB