purine-6-thiol (CHEBI:2208)

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ChEBI Name	purine-6-thiol

ChEBI ID	CHEBI:2208

Definition	A thiol that is the tautomer of mercaptopurine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C5H4N4S

Net Charge

Average Mass

152.17822

Monoisotopic Mass

152.01567

InChI

InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

GLVAUDGFNGKCSF-UHFFFAOYSA-N

SMILES

Sc1ncnc2nc[nH]c12

Roles Classification
Biological Role(s):	antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	purine-6-thiol (CHEBI:2208) has parent hydride 7H-purine (CHEBI:17258) purine-6-thiol (CHEBI:2208) has role antimetabolite (CHEBI:35221) purine-6-thiol (CHEBI:2208) has role antineoplastic agent (CHEBI:35610) purine-6-thiol (CHEBI:2208) is a aryl thiol (CHEBI:82711) purine-6-thiol (CHEBI:2208) is tautomer of mercaptopurine (CHEBI:50667)

Incoming	mercaptopurine (CHEBI:50667) is tautomer of purine-6-thiol (CHEBI:2208)

IUPAC Name

7H-purine-6-thiol

Last Modified

18 August 2014