CHEBI:186311 - AKB48

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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 AKB48
ChEBI ID CHEBI:186311
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O
Net Charge 0
Average Mass 365.521
Monoisotopic Mass 365.24671
InChI InChI=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)
InChIKey UCTCCIPCJZKWEZ-UHFFFAOYSA-N
SMILES O=C(NC12CC3CC(C1)CC(C2)C3)C4=NN(C=5C4=CC=CC5)CCCCC
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 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 Xref Database
28189076 ChemSpider
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Registry Number Type Source
1345973-53-6 CAS Registry Number ChemIDplus