Mrv0541 10101211162D 91 97 0 0 0 0 999 V2000 -2.4055 7.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 5.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -3.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 -1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -1.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5299 -3.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 -3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 -0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 -0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 -4.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 -4.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 7.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 5.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8807 -2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7366 -4.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 3.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 6.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 6.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 6.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -2.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 -1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 -2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 6.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 6.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 3.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1218 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 -1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -5.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -2.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 -2.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 -4.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -3.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 4.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 3.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 -2.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -2.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 4.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 -3.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 -2.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0652 1.4523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -2.4740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -5.4210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -1.6099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 -2.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 -5.8234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 1.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 7.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -1.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 1.0075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -2.5889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 5.7119 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7300 3.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8629 0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -6.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2548 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 -3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -4.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6992 0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 4.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 1.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 2.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 4.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2314 1.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 2.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 2.1651 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.0564 0.0000 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 19 18 1 0 0 0 0 29 1 1 0 0 0 0 29 20 2 0 0 0 0 30 2 1 0 0 0 0 30 21 2 0 0 0 0 30 29 1 0 0 0 0 31 3 1 0 0 0 0 31 26 1 0 0 0 0 32 4 1 4 0 0 0 33 5 1 4 0 0 0 34 12 1 0 0 0 0 35 13 1 0 0 0 0 36 14 1 0 0 0 0 37 22 1 0 0 0 0 38 23 2 0 0 0 0 38 34 1 0 0 0 0 39 20 1 0 0 0 0 40 21 1 0 0 0 0 40 39 2 0 0 0 0 41 27 1 0 0 0 0 23 42 1 4 0 0 0 43 15 1 0 0 0 0 44 16 1 0 0 0 0 45 17 1 0 0 0 0 46 22 1 0 0 0 0 47 24 1 0 0 0 0 48 25 1 0 0 0 0 49 18 1 0 0 0 0 50 32 2 0 0 0 0 50 35 1 0 0 0 0 51 33 2 0 0 0 0 51 36 1 0 0 0 0 53 41 1 0 0 0 0 53 52 1 0 0 0 0 54 32 1 0 0 0 0 55 33 1 0 0 0 0 56 37 1 0 0 0 0 57 52 1 0 0 0 0 58 6 1 0 0 0 0 58 7 1 0 0 0 0 58 35 1 0 0 0 0 58 42 1 0 0 0 0 59 8 1 0 0 0 0 59 19 1 0 0 0 0 59 37 1 0 0 0 0 59 54 1 0 0 0 0 60 9 1 0 0 0 0 60 24 1 0 0 0 0 60 34 1 0 0 0 0 60 55 1 0 0 0 0 61 10 1 0 0 0 0 61 25 1 0 0 0 0 61 36 1 0 0 0 0 62 11 1 0 0 0 0 62 56 1 0 0 0 0 62 61 1 0 0 0 0 63 43 2 0 0 0 0 64 44 2 0 0 0 0 65 45 2 0 0 0 0 66 46 2 0 0 0 0 67 47 2 0 0 0 0 68 48 2 0 0 0 0 69 26 1 4 0 0 0 69 49 2 0 0 0 0 70 28 1 0 0 0 0 70 39 1 0 0 0 0 71 38 1 0 0 0 0 71 55 2 0 0 0 0 72 42 2 0 0 0 0 72 50 1 0 0 0 0 73 54 2 0 0 0 0 73 56 1 0 0 0 0 74 51 1 0 0 0 0 74 62 1 0 0 0 0 75 28 2 0 0 0 0 75 40 1 0 0 0 0 75 57 1 0 0 0 0 76 27 1 0 0 0 0 77 43 1 0 0 0 0 78 44 1 0 0 0 0 79 45 1 0 0 0 0 80 46 1 0 0 0 0 81 47 1 0 0 0 0 82 48 1 0 0 0 0 83 49 1 0 0 0 0 84 52 1 0 0 0 0 87 41 1 0 0 0 0 87 57 1 0 0 0 0 88 31 1 0 0 0 0 89 53 1 0 0 0 0 90 85 1 0 0 0 0 90 86 2 0 0 0 0 90 88 1 0 0 0 0 90 89 1 0 0 0 0 M CHG 2 75 1 91 3 M END > M2MDB003487 > M2MDB > [Co+3].CC(CN=C(O)CCC1(C)C(CC(O)=N)C2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4NC2(C)C(C)(CC(O)=N)C4CCC(O)=N)C(C)(CC(O)=N)C3CCC(O)=N)C(C)(C)C1CCC(O)=N)OP(O)(=O)OC1C(CO)OC(C1O)[N+]1=CNC2=C1C=C(C)C(C)=C2 > InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p+1 > NSLAUEAQDBERRV-UHFFFAOYSA-O > C62H91CoN13O14P > 1332.3716 > 1331.587806391 > 23 > 134.77185474142573 > 0 > 18 > 4 > 0 > cobalt(3+) ion 1-(3-hydroxy-4-{[hydroxy({1-[(1-hydroxy-3-{8,13,18-tris[2-(C-hydroxycarbonimidoyl)ethyl]-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl}propylidene)amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium > -3.055051452660147 > 1 > 8 > 3 > 4.232340510591571 > 1.8094887533091581 > 9.073103979842902 > 471.3000000000002 > 399.1866999999997 > 26 > 0 > cobalt(3+) ion 1-(3-hydroxy-4-{[hydroxy({1-[(1-hydroxy-3-{8,13,18-tris[2-(C-hydroxycarbonimidoyl)ethyl]-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl}propylidene)amino]propan-2-yl}oxy)phosphoryl]oxy}-5-(hydroxymethyl)oxolan-2-yl)-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium > 0 > ECMDB23097 > vitamin B12 $$$$