HMDB0242372 RDKit 3D Cholylcysteine 80 83 0 0 0 0 0 0 0 0999 V2000 3.3616 0.5033 -2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.3166 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -1.6834 -1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -1.8763 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.4470 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4895 -1.2633 -1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -1.2038 0.5046 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 -0.7850 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1817 -1.7621 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 -1.2256 0.8847 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 0.5439 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 1.1304 1.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6309 1.1286 0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 0.4504 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 1.7861 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 2.2800 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 1.1774 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 1.0514 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6522 2.4163 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 3.4110 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9635 2.2073 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7724 1.2370 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1996 1.1674 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7873 -0.1945 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1883 -0.0660 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3202 -1.1621 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9239 -0.9615 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -0.1098 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -0.8110 1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 0.1360 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 -1.1195 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7405 -0.6645 -1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 0.2694 -2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.0868 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -1.0570 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 0.8551 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8325 0.0753 -3.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 1.4942 -2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -0.4239 -2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.1738 -2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -2.3977 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 -3.0020 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 -1.4978 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -1.3453 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 -0.6632 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9227 -1.7262 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0848 -2.7626 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 -1.1143 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 1.2549 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 0.6348 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 2.5181 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 1.5264 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 3.2338 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 2.4806 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 1.3746 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.7070 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 2.6225 -0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 4.0384 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 1.7921 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 3.1540 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7319 1.6652 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 1.6627 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8533 1.7881 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6679 -0.5847 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5299 -1.0039 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9936 -1.1046 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4865 -2.2001 0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 -1.9777 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 -0.6096 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 -0.1852 2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -1.7697 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -1.1251 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9692 0.6985 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 -1.8091 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 -1.5752 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 -1.5687 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -0.1977 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.8227 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -0.9426 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -2.0930 0.4576 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 8 11 1 0 11 12 2 0 11 13 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 14 1 0 34 17 1 0 30 18 1 0 28 22 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 33 77 1 0 35 78 1 0 35 79 1 0 35 80 1 0 M END