HMDB0060479 RDKit 3D Glutathione episulfonium ion 42 42 0 0 0 0 0 0 0 0999 V2000 4.2805 -0.3627 0.1675 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 -1.2156 0.2151 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5228 -1.3537 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -0.0669 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.6050 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.0750 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 0.7399 -1.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 1.4175 -0.6472 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2115 1.9714 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 2.8655 -0.3636 S 0 0 0 0 0 3 0 0 0 0 0 0 -2.8748 4.2193 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 2.9947 1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 0.3480 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9212 0.4305 0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 -0.6709 0.5079 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -1.7665 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 -2.8976 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -3.9146 1.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -2.7508 -0.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -2.5882 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6931 -2.7769 0.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -3.5814 0.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -0.8439 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 0.5611 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -0.8294 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -1.9835 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2588 -1.9234 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 0.5619 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 -0.2309 -2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 1.9089 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 2.2039 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 2.5519 -2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 1.1139 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 4.7478 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 4.9742 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 2.7103 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 2.7697 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 0.0445 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 -2.0948 1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -1.4552 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 -2.9851 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -4.5230 0.5139 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 8 13 1 0 13 14 1 0 13 15 2 3 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 2 20 1 0 20 21 2 0 20 22 1 0 12 10 1 0 1 23 1 0 1 24 1 0 2 25 1 1 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 8 31 1 1 9 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 16 39 1 0 16 40 1 0 19 41 1 0 22 42 1 0 M CHG 1 10 1 M END