3-carboxy-6-(methylsulfanyl)-2-oxohexanoate

Properties Image MNX_ID MNXM164245 reference metacycM:CPD-19491 formula C8H10O5S global charge -2 mol weight 218.23 InChIKey WRGKTDWHJSBCJR-UHFFFAOYSA-L InChI InChI=1S/C8H12O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5H,2-4H2,1H3,(H,10,11)(H,12,13)/p-2 SMILES CSCCCC(C(=O)[O-])C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H12O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5H,2-4H2,1H3,(H,10,11)(H,12,13)/t5? SMILES (mnx) [CH3:1][S:14][CH2:4][CH2:2][CH2:3][CH:5]([C:6]([C:8]([OH:12])=[O:13])=[O:9])[C:7](=[O:10])[OH:11]

Parent-child relations graph

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