HMDB0242384 RDKit 3D Cholylglutamic acid 85 88 0 0 0 0 0 0 0 0999 V2000 2.7667 -1.4257 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.3969 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 0.1344 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 0.8289 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 0.0745 1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 -1.1622 1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9984 0.7639 0.7964 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 0.0238 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 0.1784 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -0.5308 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4982 -0.3421 -2.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8276 0.3207 -3.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 -0.9218 -2.8736 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2277 0.4488 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 1.3809 2.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4589 -0.1716 1.7735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -0.8177 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 -2.1765 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -2.1736 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 -0.8991 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 -0.2787 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 -0.8667 -1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 -2.0571 -1.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1807 0.1429 -1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8049 0.1787 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0962 0.9348 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6835 0.9289 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9721 0.4047 0.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 0.0574 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4572 0.4150 1.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 0.6618 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 2.1208 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 -0.2235 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6378 0.1110 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 0.2135 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5827 -0.6021 2.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 0.0168 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 1.2822 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -2.3092 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -1.7509 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 -0.9374 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 0.4906 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 0.8783 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -0.7010 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 1.6338 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.4599 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9594 1.7954 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 -1.0455 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 -0.1536 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 1.2804 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 -0.0492 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0463 -1.6017 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5695 -0.4759 -2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 -0.8424 2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -0.9949 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5521 -2.9881 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 -2.3882 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -3.0196 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 -2.3455 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.9467 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 0.7931 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 -0.9558 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -2.7088 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 -0.1497 -2.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 1.1645 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 -0.8922 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7682 0.4131 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9947 1.9633 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8107 1.9685 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9781 -0.3619 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0659 -1.0024 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3507 0.2033 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -0.3883 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3706 1.3275 2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 2.5231 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 2.7185 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 2.3625 -0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0232 -1.2613 0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 1.1032 1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 -0.5762 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 1.2463 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8116 -0.1814 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 1.6681 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 1.1292 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 2.0809 -0.6368 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 2 0 11 13 1 0 8 14 1 0 14 15 2 0 14 16 1 0 2 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 17 1 0 37 20 1 0 33 21 1 0 31 25 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 13 53 1 0 16 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 21 61 1 0 22 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 32 75 1 0 32 76 1 0 32 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 36 82 1 0 38 83 1 0 38 84 1 0 38 85 1 0 M END