2-[2-(methylsulfanyl)ethyl]-3-oxobutanedioate

Properties Image MNX_ID MNXM164100 reference metacycM:CPD-19486 formula C7H8O5S global charge -2 mol weight 204.203 InChIKey FPILONYMVKSPJW-UHFFFAOYSA-L InChI InChI=1S/C7H10O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/p-2 SMILES CSCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H10O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)/t4? SMILES (mnx) [CH3:1][S:13][CH2:3][CH2:2][CH:4]([C:5]([C:7]([OH:11])=[O:12])=[O:8])[C:6](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0