S-adenosyl-4-methylsulfanyl-2-oxobutanoate

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