HMDB0002308 RDKit 3D Hydroxocobalamin 181192 0 0 0 0 0 0 0 0999 V2000 -1.4028 2.6538 11.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 3.7023 11.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 3.6336 12.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 4.2678 11.7274 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8318 4.3851 12.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 5.2941 12.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 5.9685 11.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 5.8349 10.0570 N 0 0 0 0 0 4 0 0 0 0 0 0 4.2386 6.6452 9.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0267 6.5555 7.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 6.9539 6.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 6.0824 7.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 5.5840 7.9947 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 5.7503 7.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 6.5987 6.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 6.9068 5.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 5.8389 4.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 6.1469 3.4058 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 4.6359 4.8075 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 5.9593 5.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 4.3946 5.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 6.6932 4.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3413 6.3599 3.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 4.9706 2.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 4.5786 2.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 4.1175 2.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 2.7148 2.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.9173 2.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 0.4451 1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 1.9958 3.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 1.4585 4.4000 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9040 2.2693 5.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 1.5964 3.2494 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3828 -0.0986 4.7699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -0.6095 6.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 -0.2005 7.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -0.7745 7.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -0.3739 8.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -0.6863 8.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -0.6893 8.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -0.4631 6.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0837 0.7961 6.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2521 0.2555 8.7819 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 1.5758 8.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 2.2447 9.5483 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8225 1.2814 9.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 1.4100 10.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 0.2597 10.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 0.3290 11.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 -1.0135 10.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 -2.2687 10.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -1.1079 9.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 0.0448 9.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 4.4062 9.6755 Co 0 0 0 0 0 6 0 0 0 0 0 0 3.9905 3.6224 8.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 5.1609 9.8238 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6945 4.7232 10.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 5.4265 10.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 6.3504 11.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 5.6232 12.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3665 6.5087 13.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 7.5980 14.4241 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 6.2588 14.4183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 6.1025 9.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 7.5106 8.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 5.1638 7.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 5.0455 7.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5646 5.5044 6.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5604 4.4974 8.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 6.1811 8.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 7.5188 9.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 7.6493 9.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 9.0307 10.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 9.7904 8.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 11.2103 8.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 11.5563 9.6661 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 12.1285 8.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 6.9048 11.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 7.8387 12.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 6.0873 11.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 3.3037 13.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 3.4834 14.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 3.2077 14.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 3.0966 16.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 4.1239 17.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0594 2.0377 16.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2297 2.9095 13.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 3.5222 14.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 1.3422 13.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 0.5249 14.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 0.0247 15.4399 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 0.2452 14.1556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 1.6866 11.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 2.7349 11.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7699 2.6267 12.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 5.4926 13.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 7.2112 7.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 6.1205 6.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 7.8224 6.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 4.7720 7.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 7.6295 6.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 7.6734 4.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 7.3896 5.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 7.0710 3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 5.4431 2.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 3.7413 6.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 4.1255 5.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 4.0928 4.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 7.7737 4.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 6.4801 4.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 6.6091 3.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 7.0235 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 4.4814 2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.6180 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 2.2652 2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 2.3991 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 -0.0988 2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -0.0732 2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 0.4167 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 -1.6882 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 0.8816 7.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 -0.4125 6.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 -1.8662 7.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6266 -0.8150 8.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -1.7070 8.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -1.2342 5.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 0.7431 6.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1615 2.0425 8.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3501 2.3341 10.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -0.0352 11.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 1.3619 11.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1709 -0.2598 12.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1407 -2.2025 10.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -3.1549 10.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 -2.4211 11.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8361 -2.0112 9.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 3.6369 9.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7703 4.7018 10.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 7.1118 11.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 6.8652 11.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 4.7828 12.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 5.2330 13.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 8.1710 15.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 7.8145 14.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 7.4360 8.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 7.9425 7.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 8.2237 9.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 5.5336 6.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 4.1527 7.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 5.9349 6.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 5.4015 6.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 7.7667 10.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 7.4560 9.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 8.3482 8.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9979 7.8522 9.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 9.6865 10.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 8.8977 10.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 9.7425 8.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 9.3103 8.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 12.4933 9.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 10.8719 10.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 7.2904 13.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 8.6320 12.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 8.2926 12.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 5.4667 12.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 6.7641 11.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 5.4305 10.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 2.5004 12.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 4.4851 15.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 2.7685 15.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 2.2771 14.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 4.0020 14.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 4.0292 18.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 4.9592 16.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 3.3682 14.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 4.5981 14.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 3.0587 15.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.1022 13.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 0.9780 12.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 0.2022 15.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 -0.5148 16.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 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 17 19 2 0 15 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 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 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 36 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 2 0 50 51 1 0 50 52 1 0 52 53 2 0 45 54 1 0 54 55 1 0 54 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 2 0 58 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 67 68 1 0 67 69 2 0 64 70 1 0 70 71 1 0 9 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 75 77 2 0 72 78 1 0 78 79 1 0 78 80 1 0 5 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 84 86 2 0 81 87 1 0 87 88 1 0 87 89 1 0 89 90 1 0 90 91 1 0 90 92 2 0 57 2 1 0 87 3 1 0 54 4 1 0 70 56 1 0 78 7 1 0 54 8 1 0 20 12 1 0 41 35 1 0 53 43 1 0 54 13 1 0 70 14 1 0 53 46 1 0 1 93 1 0 1 94 1 0 1 95 1 0 6 96 1 0 11 97 1 0 11 98 1 0 11 99 1 0 14100 1 0 15101 1 0 16102 1 0 16103 1 0 18104 1 0 18105 1 0 21106 1 0 21107 1 0 21108 1 0 22109 1 0 22110 1 0 23111 1 0 23112 1 0 26113 1 0 27114 1 0 27115 1 0 28116 1 0 29117 1 0 29118 1 0 29119 1 0 35120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 40125 1 0 41126 1 0 42127 1 0 44128 1 0 47129 1 0 49130 1 0 49131 1 0 49132 1 0 51133 1 0 51134 1 0 51135 1 0 52136 1 0 55137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 62143 1 0 62144 1 0 65145 1 0 65146 1 0 65147 1 0 66148 1 0 66149 1 0 68150 1 0 68151 1 0 71152 1 0 71153 1 0 71154 1 0 72155 1 0 73156 1 0 73157 1 0 74158 1 0 74159 1 0 76160 1 0 76161 1 0 79162 1 0 79163 1 0 79164 1 0 80165 1 0 80166 1 0 80167 1 0 81168 1 0 82169 1 0 82170 1 0 83171 1 0 83172 1 0 85173 1 0 85174 1 0 88175 1 0 88176 1 0 88177 1 0 89178 1 0 89179 1 0 91180 1 0 91181 1 0 M CHG 6 4 1 8 1 33 -1 45 1 54 -3 56 1 M END