HMDB0257378 RDKit 3D S-(1,2-Dicarboxyethyl)glutathione 49 48 0 0 0 0 0 0 0 0999 V2000 5.5301 -0.9766 -1.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -0.4312 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -0.5355 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 0.2751 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 0.0625 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -0.5423 1.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 0.5486 -0.2004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 0.3734 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 -0.2637 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -0.6237 -1.0501 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -2.0843 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5442 -1.9281 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6009 -0.7550 1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -0.0079 1.7752 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 -0.5584 2.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 -3.3025 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 -3.1377 -2.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 -4.5458 -0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.6612 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 2.0929 1.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 2.5641 -0.8479 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 3.7917 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 4.7584 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 4.8897 0.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 5.6439 0.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5867 -1.4207 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 -1.0105 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -2.7531 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -0.1887 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 -1.6520 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1109 0.5625 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -0.0486 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 -1.5936 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 -0.0997 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 1.3215 0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 1.1271 -1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -0.3103 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 0.3486 -2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -1.1992 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -2.2742 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 -1.7252 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8885 -2.8242 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 -0.9081 3.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8527 -4.8941 0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 2.2361 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 3.6560 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 4.3466 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 5.3494 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 -3.0145 -0.0778 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 2 0 16 18 1 0 8 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 2 26 1 0 26 27 2 0 26 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 15 43 1 0 18 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 25 48 1 0 28 49 1 0 M END