(Q27108197)

S-adenosyl-4-methylthio-2-oxobutanoate (English)

5 October 2016

chemical formula

C₁₅H₂₀N₅O₆S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[S+](CCC(=O)C(=O)O)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

1 reference

S-adenosyl-4-methylthio-2-oxobutanoate (English)

5 October 2016

isomeric SMILES

C[S+](CCC(=O)C(=O)O)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

1 reference

S-adenosyl-4-methylthio-2-oxobutanoate (English)

InChI=1S/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)/p+1/t8-,10-,11-,14-,27?/m1/s1

5 October 2016

Identifiers

InChI

1 reference

S-adenosyl-4-methylthio-2-oxobutanoate (English)

UOKVQQMBGVMXPU-CJPDYEHRSA-O

5 October 2016

InChIKey

2 references

S-adenosyl-4-methylthio-2-oxobutanoate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(3-carboxy-3-oxopropyl)methylsulfonium (English)

5 October 2016

1 reference

S-adenosyl-4-methylthio-2-oxobutanoate (English)

5 October 2016

ChEBI ID

8944

mapping relation type

1 reference

Human Metabolome Database ID

S-adenosyl-4-methylthio-2-oxobutanoic acid (English)

5 October 2016

1 reference

HMDB0304475

1 reference

based on heuristic

inferred from InChIKey

1 reference

S-adenosyl-4-methylthio-2-oxobutanoic acid (English)