2-hydroxy-2-[2-(methylsulfanyl)ethyl]butanedioate CDK 2/12/10,15:28 13 12 0 0 0 0 0 0 0 0999 V2000 -0.7145 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 8 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 2 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 7 6 1 0 0 0 0 1 7 1 0 0 0 0 12 10 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 M CHG 1 4 -1 M CHG 1 13 -1 M END > CHEBI:58816 > 2-(2-methylthioethyl)malate(2-) > Dicarboxylate anion of 2-(2-methylthioethyl)malic acid. > 3 > 2-hydroxy-2-[2-(methylsulfanyl)ethyl]succinate; 2-(2-methylsulfanyl)ethylmalate > 2-hydroxy-2-[2-(methylsulfanyl)ethyl]butanedioate > C7H10O5S > 206.21600 > 206.02599 > -2 > CSCCC(O)(CC([O-])=O)C([O-])=O > 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 > FZNWJRXTACKOPU-UHFFFAOYSA-L $$$$