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CHEBI:183728 - AKB48 N-(4-hydroxypentyl) metabolite

ChEBI IDCHEBI:183728
ChEBI NameAKB48 N-(4-hydroxypentyl) metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N3O2
Net Charge0
Average Mass381.520
Monoisotopic Mass381.24163
SMILESCC(O)CCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H31N3O2/c1-15(27)5-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,6-7,15-18,27H,4-5,8-14H2,1H3,(H,24,28)
InChIKeyRTBQZNKCFFBCBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
AKB48 N-(4-hydroxypentyl) metabolite (CHEBI:183728) is a aromatic amide (CHEBI:62733)
AKB48 N-(4-hydroxypentyl) metabolite (CHEBI:183728) is a indazoles (CHEBI:38769)
IUPAC Name 
N-(1-adamantyl)-1-(4-hydroxypentyl)indazole-3-carboxamide
Manual XrefsDatabases
95533407ChemSpider
Registry NumbersSources
CAS:1843184-41-7ChemIDplus