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CHEBI:186524 - CAY10589

ChEBI IDCHEBI:186524
ChEBI NameCAY10589
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28ClN3O2S
Net Charge0
Average Mass470.038
Monoisotopic Mass469.15908
SMILESCCCCCCC(Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)C(=O)O
InChIInChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyFQMPYBCEABTPIK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
CAY10589 (CHEBI:186524) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[4-chloro-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulanyloctanoic acid
Manual XrefsDatabases
24692010ChemSpider