Mrv1652305221920572D 91 97 0 0 0 0 999 V2000 13.6402 7.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0397 7.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 -3.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 -0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3287 -1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 -3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 -3.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 -4.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -5.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8482 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 -0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 6.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3870 6.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 -2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -2.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0872 4.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6695 4.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 7.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6135 6.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -3.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5809 -1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7610 5.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9608 5.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9102 3.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -2.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 -4.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8015 -3.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1485 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 3.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 -2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 -2.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2051 4.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7232 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 -1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -3.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1231 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 0.3586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 -0.9540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -6.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1814 -1.5180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -3.7558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4386 -4.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9732 0.6557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1990 5.0849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -1.3894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 1.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -1.2937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 -2.4970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 4.7605 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7246 4.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -0.8269 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2533 -2.3820 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0046 -5.9985 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5287 -2.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 -5.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 1.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7811 2.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1074 3.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3390 1.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 4.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4064 2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0401 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2232 2.4179 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1277 -1.1895 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 5 75 1 77 -1 78 -1 79 -1 91 3 M END > FDB022886 > foodb > [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-2 > NSLAUEAQDBERRV-UHFFFAOYSA-L > C62H88CoN13O14P > 1329.3478 > 1328.564331295 > 23 > 179 > 134.49100373804313 > 0 > 15 > 1 > 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-hydroxycarbonimidoyl)methyl]-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]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-1lambda5,3-benzodiazol-1-ylium > 2.93 > 1.1086597925282549 > -4.71 > 1 > 8 > 2 > 4.944610527293002 > 1.8091777127095998 > 479.79000000000013 > 430.83759999999967 > 26 > 0 > 2.90e-02 g/l > 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[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]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-1lambda5,3-benzodiazol-1-ylium > 0 > FDB022886 > Cobalamin $$$$