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CHEBI:230751 - AB-Chminaca

ChEBI IDCHEBI:230751
ChEBI NameAB-Chminaca
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O2
Net Charge0
Average Mass356.470
Monoisotopic Mass356.22123
SMILESCC(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1
InChIKeyKJNZIEGLNLCWTQ-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
AB-Chminaca (CHEBI:230751) is a aromatic amide (CHEBI:62733)
AB-Chminaca (CHEBI:230751) is a indazoles (CHEBI:38769)
IUPAC Name 
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
Manual XrefsDatabases
30646774ChemSpider