HMDB0002496 RDKit 3D N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 79 82 0 0 0 0 0 0 0 0999 V2000 3.9384 -1.0960 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -0.6964 -0.7276 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7384 -1.2666 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 -0.8470 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 0.5787 0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 1.3816 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7047 1.0287 1.2063 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9352 2.4420 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2101 2.9678 2.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 2.2208 3.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 4.3066 2.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 -1.0560 -1.0098 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4595 -2.5000 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 -2.5988 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -1.1765 -0.8762 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8202 -0.9724 -0.2611 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8871 0.3811 0.3727 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7320 0.7790 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 0.6917 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 -0.7235 -0.0133 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6847 -1.5971 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2037 0.4700 1.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4618 -0.8134 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 1.6023 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6652 1.9571 2.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2606 2.6161 1.2019 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0550 4.0067 1.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 2.1115 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 0.6098 0.0481 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7943 0.2066 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -0.9994 -1.3379 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3523 -1.0414 -2.6231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -2.3019 -3.5373 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.1125 -1.8341 -4.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -2.8170 -4.4174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 -3.5694 -2.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -0.6298 -2.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 -0.6826 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1882 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 0.4062 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -2.3800 0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -0.9658 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.3126 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -1.3479 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 0.3977 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 2.9554 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0118 2.6797 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1797 4.6338 3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -0.5049 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -3.2148 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -2.7066 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -2.9745 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 -3.2816 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 -0.6578 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -1.7661 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 1.1310 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 0.2944 2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 1.8801 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 1.0076 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 1.3514 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8885 -1.0356 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 -2.0346 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -2.4971 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 -1.1720 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -1.5772 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1193 -0.5673 2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 1.2972 3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 2.5343 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 1.0943 2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 2.7279 3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3582 2.4485 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 4.2878 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 2.3070 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 2.6139 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2015 0.0899 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7135 -0.0773 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 1.0564 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -1.8857 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 -4.1858 -3.1627 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 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 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 20 21 1 1 17 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 2 0 33 36 1 0 20 12 1 0 29 22 1 0 20 15 1 0 31 16 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 1 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 11 48 1 0 12 49 1 6 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 6 16 55 1 1 17 56 1 6 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 21 61 1 0 21 62 1 0 21 63 1 0 23 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 26 71 1 6 27 72 1 0 28 73 1 0 28 74 1 0 29 75 1 1 30 76 1 0 30 77 1 0 31 78 1 1 36 79 1 0 M END