HMDB0060342 RDKit 3D 2-(S-Glutathionyl)acetyl chloride 42 41 0 0 0 0 0 0 0 0999 V2000 -3.1387 0.9373 -0.3019 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 -0.2964 -0.5349 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0026 -1.4895 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 -1.9328 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -1.0186 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 0.1366 1.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -1.2522 0.4163 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 -0.3578 0.8225 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6543 -0.9914 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 -1.4143 -1.0914 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4868 -2.1812 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5956 -3.4990 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 -4.1155 -0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -4.1888 0.2435 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 0.8940 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 0.8613 -1.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 2.0165 0.6206 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 3.2347 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 4.2878 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5308 4.0091 1.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 5.5444 -0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 -0.5512 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5464 -1.6044 0.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 0.3471 1.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 1.1118 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 1.7055 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -0.1189 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -2.3535 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -1.3664 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 -2.3347 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -2.8922 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 0.2320 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 -0.1233 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -1.8968 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 -0.2651 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 -2.2592 -2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -1.5176 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.2653 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 3.6454 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.0462 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 6.3719 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0007 0.3739 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 8 15 1 0 15 16 1 0 15 17 2 3 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 2 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 2 27 1 6 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 8 33 1 1 9 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 21 41 1 0 24 42 1 0 M END