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CHEBI:186459 - HZ52

ChEBI IDCHEBI:186459
ChEBI NameHZ52
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26ClN3O2S
Net Charge0
Average Mass456.011
Monoisotopic Mass455.14343
SMILESCCCCCCC(Sc1nc(Cl)cc(Nc2ccc(-c3ccccc3)cc2)n1)C(=O)O
InChIInChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyMLNIGXYHGQLWLD-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)
HZ52 (CHEBI:186459) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulanyloctanoic acid
Manual XrefsDatabases
24691635ChemSpider