HMDB0060429 RDKit 3D adenosylcob(III)yrinic acid a,c-diamide 155162 0 0 0 0 0 0 0 0999 V2000 -2.4900 -1.7672 3.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 -1.3401 2.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -0.2660 1.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 0.6256 1.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 1.8265 1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 2.8583 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 3.1447 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 2.0472 -0.6529 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 2.4297 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 1.6792 -2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 2.4619 -2.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 0.3546 -2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 -0.4616 -1.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -0.6824 0.8002 Co 0 0 0 0 0 2 0 0 0 0 0 0 2.6077 -1.3404 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 -0.4840 2.0137 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6889 -1.0183 2.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 -0.0177 2.8479 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8186 -0.1019 2.4961 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 -0.8049 1.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7316 -0.5727 1.5874 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9864 0.2760 2.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1198 0.8730 3.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 0.5737 2.5235 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0007 1.7103 4.1538 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 1.9882 4.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7176 1.4203 4.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 0.5708 3.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.3059 2.3451 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3654 1.9881 3.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 0.8668 1.4501 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6669 1.7406 1.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 -1.6946 -1.5905 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0203 -1.5359 -3.0785 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 -2.7825 -3.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -2.8553 -5.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 -2.3450 -5.8681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -3.5246 -6.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 -0.5318 -3.3758 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4880 -1.2102 -3.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 -0.0459 -4.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 1.1385 -5.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 1.1239 -5.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5551 2.2098 -5.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -0.0683 -5.9653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -2.1664 -0.8166 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2800 -1.8954 -1.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 -1.3977 0.3748 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 -2.0317 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -3.5172 1.0743 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6559 -4.2903 1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -5.7594 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 -6.2873 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -5.5348 2.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 -7.6407 1.9677 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 -3.6018 -0.3319 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9839 -4.4019 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 -4.2543 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.6386 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 -5.9470 1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 -6.6531 -0.5733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 3.8255 -2.0760 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4657 3.6837 -3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 4.9574 -3.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8101 4.6854 -5.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 3.5152 -5.3986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 5.7850 -5.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 4.3855 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 4.5530 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 5.5871 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 1.8050 2.4325 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8324 2.8616 2.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 4.2144 2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1535 4.2673 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 3.7472 3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 4.9208 5.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4883 0.3913 2.3193 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3992 0.5011 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2608 0.1688 3.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -1.1554 3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9588 -2.2357 2.9179 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2497 -1.3385 4.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.9214 4.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -2.3634 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 -2.4234 3.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 3.4687 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 2.9903 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 1.8697 -2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 3.3060 -3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2462 -1.4515 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 -2.3755 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.3528 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3556 -0.1209 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 -1.4473 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6211 0.9903 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0232 -0.0612 3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 2.6623 5.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 1.8902 1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 1.4031 4.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 0.8449 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0088 2.6306 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -2.5014 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 -0.9862 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -3.6942 -3.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -3.0788 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 -4.2450 -5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 -0.4573 -3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -1.8227 -4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -1.8666 -2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 -0.0290 -4.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -0.8671 -5.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 1.0513 -6.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 2.1231 -5.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -0.7057 -6.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1508 -2.3935 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -0.7906 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 -2.0872 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -3.7242 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -3.9081 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 -4.0324 2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -6.2535 0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -6.2131 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -8.2843 2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 -3.9596 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 -4.4667 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -5.3832 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 -4.3905 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 -3.7130 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 -5.2705 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -6.8339 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 4.3945 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 2.9675 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8731 3.1500 -4.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 5.4608 -4.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 5.6542 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 6.7202 -5.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 5.5687 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7994 3.7544 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 4.4069 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 5.4592 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 5.9468 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 6.4128 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 1.7514 3.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 2.9609 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 2.7049 3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 4.5249 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9177 5.0211 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 5.7153 4.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5881 -0.5035 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 1.0842 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 1.0695 1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1889 0.8305 3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7597 0.6116 4.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 -2.7239 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9048 -2.5683 2.6191 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 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 18 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 13 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 34 39 1 0 39 40 1 6 39 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 33 46 1 0 46 47 1 6 46 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 50 56 1 0 56 57 1 6 56 58 1 0 58 59 1 0 59 60 1 0 59 61 2 0 9 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 62 68 1 0 68 69 1 0 68 70 1 0 5 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 2 0 74 76 1 0 71 77 1 0 77 78 1 6 77 79 1 0 79 80 1 0 80 81 1 0 80 82 2 0 49 2 1 0 77 3 1 0 68 7 1 0 39 12 1 0 56 46 1 0 31 16 1 0 28 19 1 0 28 22 1 0 1 83 1 0 1 84 1 0 1 85 1 0 6 86 1 0 11 87 1 0 11 88 1 0 11 89 1 0 15 90 1 0 15 91 1 0 16 92 1 1 18 93 1 1 20 94 1 0 24 95 1 0 24 96 1 0 26 97 1 0 29 98 1 6 30 99 1 0 31100 1 6 32101 1 0 33102 1 6 34103 1 1 35104 1 0 35105 1 0 38106 1 0 40107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 45114 1 0 47115 1 0 47116 1 0 47117 1 0 50118 1 1 51119 1 0 51120 1 0 52121 1 0 52122 1 0 55123 1 0 57124 1 0 57125 1 0 57126 1 0 58127 1 0 58128 1 0 60129 1 0 60130 1 0 62131 1 6 63132 1 0 63133 1 0 64134 1 0 64135 1 0 67136 1 0 69137 1 0 69138 1 0 69139 1 0 70140 1 0 70141 1 0 70142 1 0 71143 1 1 72144 1 0 72145 1 0 73146 1 0 73147 1 0 76148 1 0 78149 1 0 78150 1 0 78151 1 0 79152 1 0 79153 1 0 81154 1 0 81155 1 0 M CHG 1 14 1 M END