Mrv1652310011600332D 103108 0 0 1 0 999 V2000 7.8665 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 7.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -3.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0009 -0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1025 -1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 -3.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -3.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9936 -0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 -4.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7347 -0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3095 -1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -5.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 -0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2138 6.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6133 6.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4217 -2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 -4.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3135 4.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 4.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 7.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8398 6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 1.5521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1419 0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9774 -2.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 -1.0077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3610 -0.1801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6097 -3.7966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1928 -1.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5342 -0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9873 5.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 5.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 4.0133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3846 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4192 -0.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 -5.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 -2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1966 -2.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0529 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 -3.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 3.5147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5745 3.3142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7794 -0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 -2.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4314 4.3378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1841 -0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0505 -1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 -1.8322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7929 -3.6808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6506 -2.8682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3626 0.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -0.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -6.6526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -1.5027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3389 -3.7405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -4.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 0.6710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4253 5.1002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0256 -1.3742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 -1.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -2.4817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 4.7758 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9509 4.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1603 -0.8117 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5204 -2.3668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7691 -5.9832 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7550 -2.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8292 -2.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 -5.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0074 2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 1.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6661 4.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 2.4331 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0182 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9014 -1.1742 0.0000 Co 0 2 0 0 0 0 0 0 0 0 0 0 3.0164 0.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 -0.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -0.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -2.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 3.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1901 2.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 4.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -1.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 3.9137 0.0000 H 0 0 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 6 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 6 0 0 0 35 13 1 1 0 0 0 36 14 1 6 0 0 0 37 22 1 1 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 1 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 6 0 0 0 60 24 1 1 0 0 0 60 34 1 0 0 0 0 60 55 1 0 0 0 0 61 10 1 6 0 0 0 61 25 1 1 0 0 0 61 36 1 0 0 0 0 62 11 1 6 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 57 75 1 6 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 52 84 1 6 0 0 0 87 41 1 0 0 0 0 87 57 1 0 0 0 0 88 31 1 0 0 0 0 53 89 1 1 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 92 91 3 0 0 0 0 31 94 1 1 0 0 0 34 95 1 1 0 0 0 35 96 1 6 0 0 0 36 97 1 1 0 0 0 37 98 1 6 0 0 0 41 99 1 6 0 0 0 52100 1 1 0 0 0 53101 1 1 0 0 0 102 56 1 0 0 0 0 57103 1 1 0 0 0 M CHG 5 75 1 77 -1 78 -1 79 -1 93 2 M RAD 1 91 2 M END > BMDB0000607 > bmdb > [Co++].[C]#N.[H][C@@](C)(CN=C(O)CCC1(C)C2=NC([H])([C@]1([H])CC(O)=N)[C@]1(C)NC(=C(C)C3=NC(=CC4=NC(=C2C)[C@@]([H])(CCC([O-])=N)C4(C)C)[C@@]([H])(CCC([O-])=N)[C@]3(C)CC(O)=N)[C@@]([H])(CCC([O-])=N)[C@]1(C)CC(O)=N)OP(O)(=O)O[C@]1([H])[C@@]([H])(CO)O[C@]([H])([N+]2=CNC3=C2C=C(C)C(C)=C3)[C@]1([H])O > 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;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59?,60+,61+,62+;;/m1../s1 > RMRCNWBMXRMIRW-JHUHWLDHSA-L > C63H88CoN14O14P > 1355.388 > 1354.5674 > 23 > 181 > 133.34467238742076 > 0 > 15 > 0 > 0 > lambda2-cobalt(2+) ion 1-[(2S,3R,4S,5R)-3-hydroxy-4-{[hydroxy({[(2R)-1-({1-hydroxy-3-[(1R,3R,8S,13S,14S,18S,19S)-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 cyano > 2.68 > 1.1086597925282549 > -4.59 > 1 > 8 > 2 > 4.944610527293002 > 1.8091777127095998 > 479.79000000000013 > 430.83759999999967 > 26 > 0 > 3.65e-02 g/l > lambda2-cobalt(2+) ion 1-[(2S,3R,4S,5R)-3-hydroxy-4-{[hydroxy([(2R)-1-({1-hydroxy-3-[(1R,3R,8S,13S,14S,18S,19S)-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 cyano radical > 0 > BMDB0000607 > Cyanocobalamin > Anacobin; Berubigen; Betalin 12 Crystalline; Betaline-12; Betolvex; Bevidox; Bevidox concentrate; Biocobalamine; Byladoce; Cabadon m; Cobadoce forte; Cobalin; Cobavite; Copharvit 5000; Covit; Crystamin; Crystamine; Crystimin; Crystwel; Cyano-B12; Cyanobalamin concentrate; Cyanocob(III)alamin; Cyanocobalamin (JP15/USP); Cyanocobalamine; Cyanocobalmin; Cycobemin; Cycolamin; Cykobemin; Cykobeminet; Cyomin; Cyredin; Cytacon; Cytamen; Cytobion; Depinar; Dicopac; Dimethylbenzimidazoylcobamide; Distivit; Docemine; Docibin; Docivit; Dodecabee; Dodecavite; Dodex; Duodecibin; Embiol; Emociclina; Eritrone; Erycytol; Erythrotin; Euhaemon; Extrinsic factor; Factor II; Fermin; Fresmin; Hemomin; Hepagon; Hepavis; Hepcovite; Hylugel plus; Lactobacillus lactis dorner factor; Macrabin; Megabion; Megalovel; Milbedoce; Millevit; Nagravon; Nascobal; Nascobal (TN); Normocytin; Novidroxin; Pernaemon; Pernaevit; Pernipuron; Plecyamin; Poyamin; Rebramin; Redamina; Redisol; Rhodacryst; Rubesol; Rubramin; Rubripca; Rubrocitol; Sytobex; Vibalt; Vibisone; Virubra; Vita-rubra; Vitamin B12 Preparation; Vitarubin; Vitral $$$$