6-methylthioguanine (CHEBI:140528)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6-methylthioguanine

ChEBI ID	CHEBI:140528

Definition	A metabolite of thioguanine, a drug used in cancer chemotherapy.

Stars	This entity has been manually annotated by a third party.

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

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Formula

C6H7N5S

Net Charge

Average Mass

181.220

Monoisotopic Mass

181.04222

InChI

InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)

InChIKey

YEGKYFQLKYGHAR-UHFFFAOYSA-N

SMILES

C12=C(N=C(N=C1SC)N)NC=N2

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	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	Sources
2-amino-6-methylmercaptopurine	ChemIDplus
2-amino-6-methylthiopurine	ChemIDplus
6-(methylsulfanyl)-7H-purin-2-amine	ChEBI
6-(methylthio)-1H-purin-2-amine	ChEBI
6-methylthioguanine	UniProt
S-methyl-6-thioguanine	ChEBI
S6-methyl-6-thioguanine	ChEBI

Last Modified

29 January 2020