Mrv1909 12232105592D 93 98 0 0 1 0 999 V2000 -1.5388 2.4462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3417 -0.2847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8932 0.2519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2683 -3.5817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0898 -3.4428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4658 -4.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8244 -3.1399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8853 -4.7828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5754 -0.2628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0902 3.2313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5390 3.7824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3161 3.7205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8894 3.1399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7685 2.5959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 3.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 4.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 3.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 2.5850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 -3.8317 -5.3999 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5511 -4.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 -4.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 -5.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8891 -6.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -2.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 -3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -3.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 -3.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -4.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -3.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7181 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 1.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 0.2556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 -1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4959 -0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4959 -2.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 4.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 5.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 4.6004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 3.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 3.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 3.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 1.7891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 3.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 3.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 4.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 2.8406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 4.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 4.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 5.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 6.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 6.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 2.4937 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.1478 3.0706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.7923 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 8 6 1 0 0 0 0 10 11 1 0 0 0 0 13 1 1 0 0 0 0 12 13 1 0 0 0 0 14 1 1 0 0 0 0 15 14 2 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 11 18 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 20 10 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 9 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 2 1 0 0 0 0 27 1 1 0 0 0 0 3 27 1 0 0 0 0 28 27 1 0 0 0 0 26 28 1 0 0 0 0 29 30 2 0 0 0 0 4 31 1 1 0 0 0 30 31 1 0 0 0 0 6 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 7 1 0 0 0 0 7 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 2 39 1 6 0 0 0 38 39 1 0 0 0 0 40 37 2 0 0 0 0 7 41 1 1 0 0 0 42 33 1 0 0 0 0 43 33 2 0 0 0 0 44 8 1 0 0 0 0 4 44 1 0 0 0 0 8 45 1 6 0 0 0 46 45 1 0 0 0 0 5 47 1 1 0 0 0 48 31 1 0 0 0 0 49 48 2 0 0 0 0 29 49 1 0 0 0 0 50 49 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 53 48 1 0 0 0 0 52 53 2 0 0 0 0 54 52 1 0 0 0 0 55 51 1 0 0 0 0 3 56 1 1 0 0 0 57 56 1 0 0 0 0 58 57 2 0 0 0 0 59 57 1 0 0 0 0 2 60 1 1 0 0 0 61 25 1 0 0 0 0 62 9 1 0 0 0 0 22 62 1 0 0 0 0 63 62 1 0 0 0 0 64 62 1 0 0 0 0 9 65 1 6 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 2 0 0 0 0 69 67 1 0 0 0 0 11 70 1 1 0 0 0 71 70 1 0 0 0 0 72 71 2 0 0 0 0 73 71 1 0 0 0 0 11 74 1 6 0 0 0 10 75 1 6 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 2 0 0 0 0 79 77 1 0 0 0 0 13 80 1 1 0 0 0 81 80 1 0 0 0 0 82 81 2 0 0 0 0 83 81 1 0 0 0 0 13 84 1 6 0 0 0 12 85 1 6 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 88 87 2 0 0 0 0 89 87 1 0 0 0 0 1 90 1 6 0 0 0 91 92 3 0 0 0 0 M CHG 4 28 -1 42 -1 91 -1 93 3 M ISO 1 93 57 M END > DB09385 > drugbank > [57Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=[NH]C2=C1C=C(C)C(C)=C2 > InChI=1S/C62H91N13O14P.CN.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;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,70,76,84H,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;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1/i;;1-2 > FSCKVFYFBCQWRU-LFHMENBZSA-L > C63H89CoN14O14P > 1354.399 > 1353.578326835 > 16 > 182 > 3.72966565417787 > 134.02104664112613 > 0 > 10 > 0 > 0 > (57Co)cobalt(3+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-1lambda4,3-benzodiazol-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-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-20-ide iminomethanide > 1.97 > -2.055057174254052 > -4.54 > 1 > 2 > 8 > 2 > 12.586288778939325 > 1.817923400704703 > 8.974502879059134 > 462.9499999999999 > 331.0150000000002 > 26 > 0 > 3.90e-02 g/l > (57Co)cobalt(3+) (2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1lambda4,3-benzodiazol-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-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-20-ide cyanide > 0 > DB09385 > approved > Cyanocobalamin Co-57 > (57Co)Vitamin B12; Cianocobalamina (57 Co); Cyanocobalamin (57 Co); Cyanocobalamin (57Co); Cyanocobalamin Co 57; Cyanocobalamine (57 Co); Cyanocobalaminum (57 Co) > Rubratope-57 $$$$