Marvin 11291216492D 95106 0 0 1 0 999 V2000 -0.6472 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -0.7620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -1.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6231 -1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 -0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6472 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 2.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4780 2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 4.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 1.5366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5935 2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 0.9361 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7425 0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -0.7620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7940 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6536 -2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -3.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -3.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 -4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 1.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7961 2.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 2.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2821 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 3.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.6171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3677 -0.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3677 0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -3.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -3.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -3.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -4.4215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -4.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -5.6590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3280 -5.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -1.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3596 -2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 4.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 2.8002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -4.3941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 2.5736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 -1.9845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -5.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -5.0734 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4556 -6.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -7.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -6.7815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0712 -7.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 -7.9375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9964 -8.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -8.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -6.6099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3000 -5.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -7.3244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1974 -7.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8457 -7.2080 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6780 -5.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -6.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 -6.5819 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 -6.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 0.1366 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 -0.4324 2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 3.8036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46 1 2 0 0 0 0 1 2 1 0 0 0 0 60 1 1 0 0 0 0 48 2 1 0 0 0 0 2 93 1 0 0 0 0 48 3 1 0 0 0 0 48 50 1 0 0 0 0 3 4 1 1 0 0 0 3 60 1 0 0 0 0 4 5 1 0 0 0 0 5 67 1 0 0 0 0 5 6 2 0 0 0 0 50 7 1 0 0 0 0 50 14 1 0 0 0 0 7 8 2 0 0 0 0 9 8 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 6 0 0 0 14 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 62 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 66 1 0 0 0 0 17 18 2 0 0 0 0 44 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 65 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 6 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 64 1 0 0 0 0 37 38 2 0 0 0 0 39 40 1 6 0 0 0 39 41 1 1 0 0 0 41 42 1 0 0 0 0 42 63 1 0 0 0 0 42 43 2 0 0 0 0 20 93 1 0 0 0 0 7 93 1 0 0 0 0 24 93 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 1 0 0 0 50 51 1 6 0 0 0 59 52 1 0 0 0 0 52 53 1 0 0 0 0 53 55 1 0 0 0 0 53 54 2 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 57 89 1 1 0 0 0 57 58 1 1 0 0 0 57 90 1 0 0 0 0 60 59 1 6 0 0 0 60 61 1 1 0 0 0 46 25 1 0 0 0 0 68 70 2 0 0 0 0 68 75 1 0 0 0 0 72 69 2 0 0 0 0 69 77 1 0 0 0 0 70 73 1 0 0 0 0 70 72 1 0 0 0 0 71 74 1 0 0 0 0 71 73 2 0 0 0 0 74 72 1 0 0 0 0 79 74 1 1 0 0 0 77 75 2 0 0 0 0 75 76 1 0 0 0 0 77 78 1 0 0 0 0 79 84 1 0 0 0 0 79 80 1 0 0 0 0 81 80 1 0 0 0 0 86 81 1 0 0 0 0 81 82 1 6 0 0 0 82 83 1 0 0 0 0 84 86 1 0 0 0 0 84 85 1 1 0 0 0 86 87 1 1 0 0 0 91 87 1 0 0 0 0 91 88 1 0 0 0 0 91 89 1 0 0 0 0 91 92 2 0 0 0 0 93 94 1 0 0 0 0 94 95 3 0 0 0 0 73 93 1 0 0 0 0 M CHG 6 7 1 20 1 24 1 73 1 88 -1 93 -3 M END > CHEBI:17439 > cyanocob(III)alamin > A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12. > 3 > CHEBI:60496; CHEBI:48820; CHEBI:3979; CHEBI:14041; CHEBI:23435 > Vitamin B12 complex; vitamin B-12; Dicopac; Cyanocob(III)alamin; cyanocob(III)alamin; CO-CYANOCOBALAMIN; CN-Cbl > cyanocob(III)alamin; Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide > cyanocobalamin > C63H88CoN14O14P > 1355.36520 > 1354.56740 > 0 > [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=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-WZHZPDAFSA-L > 68-19-9 > 457955 > 68-19-9 > DB00115 > C02823 > D00166 > C00001534 > CNC > 29286160 $$$$