Mrv1652305041823532D 95100 0 0 1 0 999 V2000 24.7404 -14.4032 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 22.6813 -21.2365 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.0288 -20.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9580 -21.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5689 -21.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7919 -19.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9349 -20.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0673 -22.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0537 -18.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9741 -9.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0324 -15.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2116 -12.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2153 -13.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3703 -10.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2324 -15.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1939 -21.9636 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.5981 -18.5923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4764 -10.1879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1045 -16.2931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0075 -11.1766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6546 -12.3257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7604 -10.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5673 -16.3860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7115 -18.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9590 -13.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5104 -13.5912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4561 -15.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8877 -15.2140 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 25.7178 -17.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1397 -19.9144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4872 -19.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2354 -17.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7135 -21.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2463 -11.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7680 -16.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4768 -12.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4721 -17.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4293 -11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6399 -16.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8085 -12.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1550 -12.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5893 -11.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0798 -16.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0080 -19.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3965 -14.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0403 -13.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5602 -11.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2141 -16.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3689 -15.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5779 -16.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6908 -11.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6455 -17.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6821 -18.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6900 -17.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2015 -13.7719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8419 -13.0869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0691 -12.4921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.5914 -15.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3462 -16.3320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4531 -19.5775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4469 -20.9122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.6673 -19.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6635 -20.6537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1663 -15.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8056 -15.7914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3824 -12.5462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0510 -16.2598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6094 -13.0326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3614 -18.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2934 -10.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2590 -16.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6759 -11.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3416 -12.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2399 -10.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2932 -15.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0495 -12.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3658 -15.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2317 -13.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4019 -12.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2317 -15.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0142 -15.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7347 -12.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6805 -16.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6095 -14.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4972 -18.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5011 -17.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9260 -18.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9298 -17.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2299 -18.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2098 -18.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2173 -17.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1454 -19.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7927 -21.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4906 -14.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0306 -13.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 3 30 1 0 0 0 0 4 63 1 0 0 0 0 5 33 1 0 0 0 0 62 6 1 1 0 0 0 7 60 1 0 0 0 0 7 61 1 0 0 0 0 9 69 2 0 0 0 0 10 70 2 0 0 0 0 11 71 2 0 0 0 0 12 72 2 0 0 0 0 13 73 2 0 0 0 0 14 74 2 0 0 0 0 15 75 2 0 0 0 0 17 31 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 20 72 1 0 0 0 0 21 73 1 0 0 0 0 22 74 1 0 0 0 0 23 75 1 0 0 0 0 24 60 1 0 0 0 0 24 85 1 0 0 0 0 24 89 1 0 0 0 0 25 55 1 0 0 0 0 25 76 2 0 0 0 0 26 78 2 0 0 0 0 26 79 1 0 0 0 0 27 77 2 0 0 0 0 27 80 1 0 0 0 0 28 64 1 0 0 0 0 28 81 1 0 0 0 0 29 86 1 0 0 0 0 29 89 2 0 0 0 0 30 31 1 0 0 0 0 30 44 1 1 0 0 0 32 37 1 0 0 0 0 32 59 1 0 0 0 0 61 33 1 6 0 0 0 34 38 1 0 0 0 0 66 34 1 6 0 0 0 35 39 1 0 0 0 0 67 35 1 6 0 0 0 36 40 1 0 0 0 0 68 36 1 6 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 41 56 1 0 0 0 0 41 73 1 0 0 0 0 42 57 1 0 0 0 0 42 74 1 0 0 0 0 65 43 1 1 0 0 0 43 75 1 0 0 0 0 55 45 1 6 0 0 0 56 46 1 6 0 0 0 57 47 1 6 0 0 0 48 58 1 0 0 0 0 49 58 1 0 0 0 0 59 50 1 1 0 0 0 51 82 1 0 0 0 0 52 83 1 0 0 0 0 53 87 1 0 0 0 0 54 88 1 0 0 0 0 55 56 1 0 0 0 0 55 64 1 0 0 0 0 56 66 1 0 0 0 0 57 68 1 0 0 0 0 57 79 1 0 0 0 0 58 67 1 0 0 0 0 58 80 1 0 0 0 0 59 65 1 0 0 0 0 59 81 1 0 0 0 0 60 62 1 0 0 0 0 60 92 1 6 0 0 0 61 63 1 0 0 0 0 62 63 1 0 0 0 0 63 93 1 6 0 0 0 64 65 1 0 0 0 0 64 94 1 1 0 0 0 66 76 1 0 0 0 0 67 77 1 0 0 0 0 68 78 1 0 0 0 0 76 82 1 0 0 0 0 77 83 1 0 0 0 0 78 84 1 0 0 0 0 79 82 2 0 0 0 0 80 84 2 0 0 0 0 81 83 2 0 0 0 0 85 86 2 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 88 1 0 0 0 0 87 90 2 0 0 0 0 88 91 2 0 0 0 0 M CHG 3 1 2 16 -1 28 -1 M END > BMDB0002308 > bmdb > O.[Co++].[H][C@@]1(OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])[N-]\C2=C(C)/C2=N/C(=C\C4=N\C(=C(C)/C5=N[C@]3(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)/C(C)(C)[C@@H]2CCC(N)=O)[C@@H](CO)O[C@@]([H])([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2 > InChI=1S/C62H90N13O14P.Co.H2O/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);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 > DQOCFCZRZOAIBN-WZHZPDAFSA-L > C62H90CoN13O15P > 1347.3631 > 1346.574895981 > 17 > 182 > 131.94133163694949 > 0 > 9 > 0 > 0 > lambda2-cobalt(2+) ion (1R,2R,3S,4S,8S,9S,14S,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 phosphono]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 hydrate > 2.56 > -2.720434372886663 > -4.98 > 1 > 8 > 2 > 12.585866591795288 > 1.8166326257877659 > 8.974960904253237 > 460.0499999999999 > 330.7190000000003 > 26 > 0 > 1.45e-02 g/l > lambda2-cobalt(2+) ion (1R,2R,3S,4S,8S,9S,14S,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-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphono]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 hydrate > 0 > BMDB0002308 > Hydroxycobalamin > a-(5,6-Dimethylbenzimidazolyl)hydroxocobamide; Alpha Cobione; alpha-(5,6-Dimethylbenzimidazolyl)hydroxocobamide; Axlon; Ciplamin H; Cobalex; Cobalin H; Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosylbenzimidazole inner salt; Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-alpha-delta-ribofuranosylbenzimidazole inner salt; Codroxomin; Docclan; Docelan; Docevita; Droxomin; Ducobee Hy; Duradoce; Duralta-12; Hydrocobalamin; Hydrogrisevit; Hydrovit; Hydroxocobalamin; Hydroxocobalamine $$$$