CHEBI:2208 - purine-6-thiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
Average Mass 152.17822
Monoisotopic Mass 152.016
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
Database Links 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 Types Sources
24211998 PubMed citation Europe PMC
24651962 PubMed citation Europe PMC
24670805 PubMed citation Europe PMC
24774509 PubMed citation Europe PMC
Last Modified
18 August 2014