CHEBI:181429 - 3-methylisoquinoline

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ChEBI Name 3-methylisoquinoline
ChEBI ID CHEBI:181429
Definition An isoquinoline substituted by a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
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Formula C10H9N
Net Charge 0
Average Mass 143.189
Monoisotopic Mass 143.07350
InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
InChIKey FVVXWRGARUACNW-UHFFFAOYSA-N
SMILES CC1=CC2=CC=CC=C2C=N1
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 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-isoquinoline ChEBI
Manual Xref Database
13668 ChemSpider
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Registry Numbers Types Sources
1125-80-0 CAS Registry Number NIST Chemistry WebBook
1125-80-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14735219 PubMed citation Europe PMC
19421618 PubMed citation Europe PMC
20884446 PubMed citation Europe PMC
21004585 PubMed citation Europe PMC
24108670 PubMed citation Europe PMC
33999646 PubMed citation Europe PMC
528640 PubMed citation Europe PMC
5883238 PubMed citation Europe PMC
Last Modified
12 January 2023