S-adenosyl-4-methylsulfanyl-2-oxobutanoate

Chemical Formula:

C₁₅H₁₉N₅O₆S

Molecular Weight:

397.405 Daltons

Monoisotopic Mass:

398.1134290906 Daltons

SMILES:

C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))

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)/t8-,10-,11-,14-,27?/m1/s1

InChIKey:

UOKVQQMBGVMXPU-CJPDYEHRSA-N

Synonyms

S-adenosyl-4-methylthio-2-oxobutanoate

Databases

MetaCyc: S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE

BiGG: amob

ChemSpider: 4573603

ChEBI: 16490

PubChem (CID): 5459852

KEGG: C04425

RefMet: S-Adenosyl-4-methylthio-2-oxobutanoate S-adenosyl-4-methylthio-2-oxobutanoate

Seed: cpd02701

MetaNetX: MNXM3090