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CHEBI:140528 - 6-methylthioguanine

ChEBI IDCHEBI:140528
ChEBI Name6-methylthioguanine
Stars
DefinitionA metabolite of thioguanine, a drug used in cancer chemotherapy.
Last Modified29 January 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H7N5S
Net Charge0
Average Mass181.224
Monoisotopic Mass181.04222
SMILESCSc1nc(N)nc2ncnc12
InChIInChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyYEGKYFQLKYGHAR-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
6-methylthioguanine (CHEBI:140528) has functional parent tioguanine (CHEBI:9555)
6-methylthioguanine (CHEBI:140528) has role human xenobiotic metabolite (CHEBI:76967)
6-methylthioguanine (CHEBI:140528) is a 2-aminopurines (CHEBI:20702)
6-methylthioguanine (CHEBI:140528) is a thiopurine (CHEBI:35666)
IUPAC Names 
6-(methylsulfanyl)-9H-purin-2-amine
6-(methylthio)-3H-purin-2-amine
Synonyms  Source
2-amino-6-methylthiopurineChemIDplus
2-amino-6-methylmercaptopurineChemIDplus
S-methyl-6-thioguanineChEBI
S6-methyl-6-thioguanineChEBI
6-(methylthio)-1H-purin-2-amineChEBI
6-(methylsulfanyl)-7H-purin-2-amineChEBI
UniProt Name  Source
6-methylthioguanineUniProt
Registry NumbersSources
CAS:1198-47-6ChemIDplus
CAS:1198-47-6NIST Chemistry WebBook
Citations