2-(2-methylsulfanyl)ethylmalate

Properties Image MNX_ID MNXM3441 reference chebi:58816 formula C7H10O5S global charge -2 mol weight 206.219 InChIKey FZNWJRXTACKOPU-UHFFFAOYSA-L InChI InChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/p-2 SMILES CSCCC(O)(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/t7? SMILES (mnx) [CH3:1][S:13][CH2:3][CH2:2][C:7]([CH2:4][C:5](=[O:8])[OH:9])([C:6](=[O:10])[OH:11])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1