Mrv1652305221920482D 91 97 0 0 0 0 999 V2000 15.0482 2.7602 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 14.0692 6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2947 4.1677 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 15.0117 4.9426 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 13.9525 3.6774 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 12.9608 5.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7652 3.5351 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 14.1990 5.0849 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 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 -2.3866 -0.8269 0.0000 N 0 5 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 2.0046 -5.9985 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 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 13.7610 5.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 4.7605 0.0000 N 0 0 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 -1.5889 0.3586 0.0000 O 0 0 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 3.2671 -6.6679 0.0000 O 0 0 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 2 0 0 0 0 0 0 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 21 20 1 0 0 0 0 30 1 1 0 0 0 0 30 12 1 0 0 0 0 30 22 2 0 0 0 0 31 2 1 0 0 0 0 31 27 1 0 0 0 0 32 3 1 4 0 0 0 33 4 1 4 0 0 0 34 13 1 0 0 0 0 35 14 1 0 0 0 0 36 15 1 0 0 0 0 37 23 1 0 0 0 0 38 24 2 0 0 0 0 38 34 1 0 0 0 0 39 16 1 0 0 0 0 40 22 1 0 0 0 0 40 39 2 0 0 0 0 41 28 1 0 0 0 0 24 42 1 4 0 0 0 43 17 1 0 0 0 0 44 18 1 0 0 0 0 45 19 1 0 0 0 0 46 23 1 0 0 0 0 47 25 1 0 0 0 0 48 26 1 0 0 0 0 49 20 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 5 1 0 0 0 0 58 6 1 0 0 0 0 58 35 1 0 0 0 0 58 42 1 0 0 0 0 59 7 1 0 0 0 0 59 21 1 0 0 0 0 59 37 1 0 0 0 0 59 54 1 0 0 0 0 60 8 1 0 0 0 0 60 25 1 0 0 0 0 60 34 1 0 0 0 0 60 55 1 0 0 0 0 61 9 1 0 0 0 0 61 26 1 0 0 0 0 61 36 1 0 0 0 0 62 10 1 0 0 0 0 62 56 1 0 0 0 0 62 61 1 0 0 0 0 63 43 1 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 27 1 4 0 0 0 69 49 2 0 0 0 0 70 38 1 0 0 0 0 70 55 2 0 0 0 0 71 42 2 0 0 0 0 71 50 1 0 0 0 0 72 54 2 0 0 0 0 72 56 1 0 0 0 0 73 51 1 0 0 0 0 73 62 1 0 0 0 0 74 11 2 0 0 0 0 74 29 2 0 0 0 0 74 39 1 0 0 0 0 75 29 1 0 0 0 0 75 40 1 0 0 0 0 75 57 1 0 0 0 0 76 28 1 0 0 0 0 77 43 2 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 3 63 -1 78 -1 91 2 M END > FDB021826 > foodb > [Co++].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([NH-])=O)C(C)(C)C1CCC([O-])=N)OP(O)(=O)OC1C(O)C(OC1CO)N1C=[N](=C)C2=C1C=C(C)C=C2 > InChI=1S/C62H90N13O14P.Co/c1-30-12-16-39-40(22-30)75(29-74(39)11)57-52(84)53(41(28-76)87-57)89-90(85,86)88-31(2)27-69-49(83)20-21-59(7)37(23-46(66)80)56-62(10)61(9,26-48(68)82)36(15-19-45(65)79)51(73-62)33(4)55-60(8,25-47(67)81)34(13-17-43(63)77)38(70-55)24-42-58(5,6)35(14-18-44(64)78)50(71-42)32(3)54(59)72-56;/h12,16,22,24,29,31,34-37,41,52-53,56-57,76,84H,11,13-15,17-21,23,25-28H2,1-10H3,(H15,63,64,65,66,67,68,69,70,71,72,73,77,78,79,80,81,82,83,85,86);/q;+2/p-2 > AQRVTLGDEBVZBZ-UHFFFAOYSA-L > C62H88CoN13O14P > 1329.3478 > 1328.564331295 > 0 > 179 > 134.18731095963702 > 0 > 0 > 0 > 0 > lambda2-cobalt(2+) ion 3-[13-(3-azanidyl-3-oxopropyl)-4-{2-[(2-{[hydroxy({[4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-1-methylidene-3H-1lambda5,3-benzodiazol-3-yl)oxolan-3-yl]oxy})phosphoryl]oxy}propyl)-C-hydroxycarbonimidoyl]ethyl}-18-[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-8-yl]propanecarboximidate > 2.54 > -4.25 > 1 > 8 > 0 > 462.6000000000002 > 409.41569999999973 > 26 > 0 > 7.75e-02 g/l > lambda2-cobalt(2+) ion 3-[13-(3-azanidyl-3-oxopropyl)-4-{2-[(2-{[hydroxy([4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-1-methylidene-1lambda5,3-benzodiazol-3-yl)oxolan-3-yl]oxy)phosphoryl]oxy}propyl)-C-hydroxycarbonimidoyl]ethyl}-18-[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-8-yl]propanecarboximidate > 0 > FDB021826 > Cob(I)alamin $$$$