CHEBI:2208 - purine-6-thiol

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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 ChemicalBook:CB42610065, ChemicalBook:CB1425059, eMolecules:1987653, eMolecules:32176559, eMolecules:525836, eMolecules:1061194, eMolecules:729201, Selleckchem:Mercaptopurine, ZINC000004658290
Download Molfile XML SDF
Formula C5H4N4S
Net Charge 0
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.
View more via ChEBI Ontology
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
Synonyms Sources
1,7-Dihydro-6H-purine-6-thione ChemIDplus
3H-Purine-6-thiol ChemIDplus
6-MP ChemIDplus
6-Thiohypoxanthine ChemIDplus
Manual Xrefs Databases
C01756 KEGG COMPOUND
C02380 KEGG COMPOUND
DB01033 DrugBank
PM6 PDBeChem
View more database links
Registry Numbers Types Sources
50-44-2 CAS Registry Number KEGG COMPOUND
50-44-2 CAS Registry Number ChemIDplus
608595 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
18 August 2014