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0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 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 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -1.5043 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 -2.2089 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 2.2435 5.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 4.6004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 3.2276 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 4.1458 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 3.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 1.7890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 3.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 4.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 2.8405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 2.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 4.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 4.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 5.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 6.2105 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 -2.2582 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 11 9 1 0 0 0 0 13 14 1 0 0 0 0 16 4 1 0 0 0 0 15 16 1 0 0 0 0 17 4 1 0 0 0 0 18 17 2 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 14 21 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 23 13 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 5 1 0 0 0 0 30 4 1 0 0 0 0 6 30 1 0 0 0 0 31 30 1 0 0 0 0 29 31 1 0 0 0 0 32 33 2 0 0 0 0 7 34 1 1 0 0 0 33 34 1 0 0 0 0 9 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 10 1 0 0 0 0 10 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 5 42 1 6 0 0 0 41 42 1 0 0 0 0 43 40 2 0 0 0 0 10 44 1 1 0 0 0 45 36 1 0 0 0 0 46 36 2 0 0 0 0 47 11 1 0 0 0 0 7 47 1 0 0 0 0 11 48 1 6 0 0 0 49 48 1 0 0 0 0 8 50 1 1 0 0 0 51 34 1 0 0 0 0 52 51 2 0 0 0 0 32 52 1 0 0 0 0 53 52 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 56 51 1 0 0 0 0 55 56 2 0 0 0 0 57 55 1 0 0 0 0 58 54 1 0 0 0 0 6 59 1 1 0 0 0 60 59 1 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 5 63 1 1 0 0 0 64 28 1 0 0 0 0 65 12 1 0 0 0 0 25 65 1 0 0 0 0 66 65 1 0 0 0 0 67 65 1 0 0 0 0 12 68 1 6 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 2 0 0 0 0 72 70 1 0 0 0 0 14 73 1 1 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 74 1 0 0 0 0 14 77 1 6 0 0 0 13 78 1 6 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 2 0 0 0 0 82 80 1 0 0 0 0 16 83 1 1 0 0 0 84 83 1 0 0 0 0 85 84 2 0 0 0 0 86 84 1 0 0 0 0 16 87 1 6 0 0 0 15 88 1 6 0 0 0 89 88 1 0 0 0 0 90 89 1 0 0 0 0 91 90 2 0 0 0 0 92 90 1 0 0 0 0 4 93 1 6 0 0 0 M CHG 4 1 -1 3 3 31 -1 45 -1 M ISO 1 3 60 M END > DB09387 > drugbank > [60Co+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=NC2=C1C=C(C)C(C)=C2 > InChI=1S/C62H90N13O14P.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;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,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+1 > FDJOLVPMNUYSCM-BYCRCCONSA-L > C63H88CoN14O14P > 1356.389 > 1355.568027764 > 17 > 181 > 1.56816517896652 > 133.97010832014487 > 0 > 9 > 0 > 0 > (60Co)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-1H-1,3-benzodiazol-1-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 > -2.720434372886663 > -4.54 > 1 > 2 > 8 > 2 > 12.585866591795286 > 1.8166326257877659 > 8.974960904253237 > 460.04999999999984 > 330.7190000000002 > 26 > 0 > 3.90e-02 g/l > mitoquinone cation mesylate > 0 > DB09387 > approved; withdrawn > Cyanocobalamin Co-60 > Cyanocobalamin (60Co); Cyanocobalamin Co 60; Cyanocobalamine (60 Co); Cyanocobalaminum (60 Co); Vitamin B12 - 60Co $$$$