3-carboxy-8-(methylsulfanyl)-2-oxooctanoate

Properties Image MNX_ID MNXM164247 reference metacycM:CPD-19489 formula C10H14O5S global charge -2 mol weight 246.284 InChIKey YOBCOUZBIFVTFN-UHFFFAOYSA-L InChI InChI=1S/C10H16O5S/c1-16-6-4-2-3-5-7(9(12)13)8(11)10(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)/p-2 SMILES CSCCCCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H16O5S/c1-16-6-4-2-3-5-7(9(12)13)8(11)10(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)/t7? SMILES (mnx) [CH3:1][S:16][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH:7]([C:8]([C:10]([OH:14])=[O:15])=[O:11])[C:9](=[O:12])[OH:13]

Parent-child relations graph

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