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S-methyl-5'-thioinosine

PropertiesImage
MNX_IDMNXM2620 Image of MNXM2620
referencechebi:48595
formulaC11H14N4O4S
global charge0
mol weight298.324
InChIKeyGXYLOXCSJFJFKA-IOSLPCCCSA-N
InChIInChI=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
SMILESCSC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2620
SMILES (mnx)[CH3:1][S:20][CH2:2][C@@H:5]1[C@@H:7]([OH:16])[C@@H:8]([OH:17])[C@H:11]([N:15]2[CH:4]=[N:14][C:6]3=[C:9]2[N:12]=[CH:3][N:13]=[C:10]3[OH:18])[O:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48595
chebi:48595
GXYLOXCSJFJFKA-IOSLPCCCSA-N 		S-methyl-5'-thioinosine
5'-S-methyl-5'-thioinosine
5'-deoxy-5'-(methylsulfanyl)inosine
5'-deoxy-5'-methylthioinosine
9-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-9H-purin-6-ol

kegg.compound:C19787
keggC:C19787
GXYLOXCSJFJFKA-IOSLPCCCSA-N 		5'-S-Methyl-5'-thioinosine
5'-Deoxy-5'-methylthioinosine
S-Methyl-5'-thioinosine

seed.compound:cpd21032
seedM:cpd21032
GXYLOXCSJFJFKA-IOSLPCCCSA-N 		5'-S-Methyl-5'-thioinosine
5'-Deoxy-5'-methylthioinosine
S-Methyl-5'-thioinosine
S-methyl-5'-methylthioinosine
S-methyl-5'-thioinosine

metacyc.compound:5-METHYLTHIOINOSINE
metacycM:5-METHYLTHIOINOSINE
GXYLOXCSJFJFKA-IOSLPCCCSA-N 		S-methyl-5'-thioinosine

keggC:M_C19787
seedM:M_cpd21032 		secondary/obsolete/fantasy identifier