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CHEBI:177458 - SR-49498

ChEBI IDCHEBI:177458
ChEBI NameSR-49498
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30N6O2
Net Charge0
Average Mass446.555
Monoisotopic Mass446.24302
SMILESCCCCC(=O)NC1(C(=O)NCc2ccc(-c3ccccc3-c3nnnn3)cc2)CCCC1
InChIInChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyPAKGYCNZUGIDHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
SR-49498 (CHEBI:177458) is a biphenyls (CHEBI:22888)
IUPAC Name 
1-(pentanoylamino)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]cyclopentane-1-carboxamide
Manual XrefsDatabases
HMDB0013845HMDB
27524630ChemSpider
Registry NumbersSources
CAS:748812-53-5ChemIDplus