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CHEBI:187866 - BM 567

ChEBI IDCHEBI:187866
ChEBI NameBM 567
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28N4O5S
Net Charge0
Average Mass412.512
Monoisotopic Mass412.17804
SMILESCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1
InChIInChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
InChIKeyWNIPBGJWMANRGA-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)
BM 567 (CHEBI:187866) is a benzenes (CHEBI:22712)
BM 567 (CHEBI:187866) is a sulfonamide (CHEBI:35358)
IUPAC Name 
1-[2-(cyclohexylamino)-5-nitrophenyl]sulonyl-3-pentylurea
Manual XrefsDatabases
8042059ChemSpider
Registry NumbersSources
CAS:284464-77-3ChemIDplus