CHEBI:186459 - HZ52

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name HZ52
ChEBI ID CHEBI:186459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H26ClN3O2S
Net Charge 0
Average Mass 456.000
Monoisotopic Mass 455.14343
InChI InChI=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)
InChIKey MLNIGXYHGQLWLD-UHFFFAOYSA-N
SMILES ClC1=NC(SC(CCCCCC)C(O)=O)=NC(NC2=CC=C(C3=CC=CC=C3)C=C2)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing HZ52 (CHEBI:186459) is a biphenyls (CHEBI:22888)
IUPAC Name
2-[4-chloro-6-(4-phenylanilino)pyrimidin-2-yl]sulanyloctanoic acid
Manual Xref Database
24691635 ChemSpider
View more database links