S-methyl-5'-thioinosine

Chemical Formula:

C₁₁H₁₄N₄O₄S

Molecular Weight:

298.316 Daltons

Monoisotopic Mass:

298.0735756486 Daltons

SMILES:

CSCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))

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

Databases

MetaCyc: 5-METHYLTHIOINOSINE

ChemSpider: 141619

KEGG: C19787

ChEBI: 48595

PubChem (CID): 161214 135511888

Seed: cpd21032

MetaNetX: MNXM2620