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CHEBI:181429 - 3-methylisoquinoline

ChEBI IDCHEBI:181429
ChEBI Name3-methylisoquinoline
Stars
DefinitionAn isoquinoline substituted by a methyl group at position 3.
Last Modified12 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9N
Net Charge0
Average Mass143.189
Monoisotopic Mass143.07350
SMILESCc1cc2ccccc2cn1
InChIInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKeyFVVXWRGARUACNW-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-methylisoquinoline (CHEBI:181429) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-methylisoquinoline (CHEBI:181429) is a isoquinolines (CHEBI:24922)
IUPAC Name 
3-methylisoquinoline
Synonym  Source
3-methyl-isoquinolineChEBI
Manual XrefsDatabases
13668ChemSpider
Registry NumbersSources
CAS:1125-80-0ChemIDplus
CAS:1125-80-0NIST Chemistry WebBook
Citations