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> Main
CHEBI:2208 - purine-6-thiol
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ChEBI Ontology
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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.
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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
7
H
-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
7
H
-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
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