S-adenosyl-4-methylthio-2-oxobutanoate

Molecular Formula: C₁₅H₁₉N₅O₆S

InChI: InChI=1/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/t8-,10-,11-,14-,27?/m1/s1/f/h16H2

InChIKey: InChIKey=UOKVQQMBGVMXPU-SHMRDBCBDI
SMILES: C[S+](CCC(=O)C(=O)[O-])CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Names:
    CHEBI:16490
    S-adenosyl-4-methylthio-2-oxobutanoate
    4-[(5'-adenosyl)(methyl)sulfonio]-2-oxobutanoate
    4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]-2-oxo-butanoate
    [(3S)-3-carboxylato-3-oxopropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium
    [1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfonium

Registries:
    PubChem CID 5459852
    PubChem ID 8143538