EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186311 - AKB48

ChEBI IDCHEBI:186311
ChEBI NameAKB48
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N3O
Net Charge0
Average Mass365.521
Monoisotopic Mass365.24671
SMILESCCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)
InChIKeyUCTCCIPCJZKWEZ-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)
AKB48 (CHEBI:186311) is a aromatic amide (CHEBI:62733)
AKB48 (CHEBI:186311) is a indazoles (CHEBI:38769)
IUPAC Name 
N-(1-adamantyl)-1-pentylindazole-3-carboxamide
Manual XrefsDatabases
28189076ChemSpider
Registry NumbersSources
CAS:1345973-53-6ChemIDplus