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CHEBI:133918 - 2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline

ChEBI IDCHEBI:133918
ChEBI Name2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline
Stars
ASCII Name2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline
DefinitionAn imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an acetoxyamino group at position 2. The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ).
Last Modified20 April 2017
SubmitterKeeva
DownloadsMolfile
FormulaC13H12N4O2
Net Charge0
Average Mass256.265
Monoisotopic Mass256.09603
SMILESCC(=O)ONc1nc2c3cccnc3ccc2n1C
InChIInChI=1S/C13H12N4O2/c1-8(18)19-16-13-15-12-9-4-3-7-14-10(9)5-6-11(12)17(13)2/h3-7H,1-2H3,(H,15,16)
InChIKeyZNLLBBZONQYLII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Homo Sapiens (ncbitaxon:9606) - PubMed (8069858)
Rattus norvegicus (ncbitaxon:10116) - PubMed (8069858)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role carcinogenic agent (CHEBI:50903)
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role human xenobiotic metabolite (CHEBI:76967)
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role rat metabolite (CHEBI:86264)
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) is a N-acetoxyarylamine (CHEBI:21494)
2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) is a imidazoquinoline (CHEBI:38776)
IUPAC Name 
1-{[(Z)-(3-methyl-1,3-dihydro-2H-imidazo[4,5-f]quinolin-2-ylidene)amino]oxy}ethanone
Synonym  Source
N-Acetoxy-IQKEGG COMPOUND
Manual XrefsDatabases
C20290KEGG COMPOUND
129282ChemSpider
Registry NumbersSources
CAS:115722-78-6KEGG COMPOUND
Citations