CHEBI:48595 - 5'-S-methyl-5'-thioinosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5'-S-methyl-5'-thioinosine
ChEBI ID CHEBI:48595
ChEBI ASCII Name 5'-S-methyl-5'-thioinosine
Definition A 5'-deoxyribonucleoside consisting of inosine where the 5'-hydroxy group is substituted by a methylsulfanyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H14N4O4S
Net Charge 0
Average Mass 298.31942
Monoisotopic Mass 298.07358
InChI InChI=1S/C11H14N4O4S/c1-20-2-5-7(16)8(17)11(19-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1
InChIKey GXYLOXCSJFJFKA-IOSLPCCCSA-N
SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12
ChEBI Ontology
Outgoing 5'-S-methyl-5'-thioinosine (CHEBI:48595) has functional parent inosine (CHEBI:17596)
5'-S-methyl-5'-thioinosine (CHEBI:48595) is a 5'-deoxyribonucleoside (CHEBI:36988)
5'-S-methyl-5'-thioinosine (CHEBI:48595) is a inosines (CHEBI:24844)
IUPAC Name
5'-deoxy-5'-(methylsulfanyl)inosine
Synonyms Sources
5'-deoxy-5'-methylthioinosine ChEBI
9-(5-S-methyl-5-thio-β-D-ribofuranosyl)-9H-purin-6-ol ChEBI
S-methyl-5'-thioinosine UniProt
Registry Numbers Types Sources
9643240 Beilstein Registry Number Beilstein
9643240 Reaxys Registry Number Reaxys
Last Modified
20 September 2013