Marvin 11071209442D 110124 0 0 1 0 999 V2000 0.0000 0.0000 0.0000 Co 0 7 0 0 0 0 0 0 0 0 0 0 -0.7073 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -0.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 0.7995 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7073 1.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 1.9798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7339 1.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 0.7995 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6824 0.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -0.8986 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7339 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 -2.0831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5935 -2.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -3.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 -4.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8353 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 2.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 2.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 -2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 -2.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 -0.7537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4278 -0.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 0.6752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4278 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 -2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 1.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7779 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 3.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 4.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 2.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 1.9798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7264 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 -1.5033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7264 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 -0.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1553 -1.9158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -6.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9235 -5.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -6.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7485 -5.6964 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6685 -6.4811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -6.7360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3710 -7.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -7.5206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6809 -8.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -6.2511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7835 -5.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -6.7360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2356 -6.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 -3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 -3.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 -4.5581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 -4.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4197 -2.0831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5631 -5.7956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8487 -6.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2776 -6.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -7.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 -7.0331 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 -7.7476 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8382 -4.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2513 -4.3188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 1.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2254 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -7.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 -7.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 2.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 3.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 4.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 4.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 3.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 9.0481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 8.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 8.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 7.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 6.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 6.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 7.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 7.4476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 6.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 6.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 5.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4142 5.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 4.3285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4790 4.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8146 3.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 4.8715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7119 4.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1759 -8.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -6.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 -8.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -7.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 24 2 2 0 0 0 0 2 3 1 0 0 0 0 71 2 1 0 0 0 0 26 3 1 0 0 0 0 28 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 5 22 1 0 0 0 0 6 84 1 6 0 0 0 80 6 1 0 0 0 0 22 7 2 0 0 0 0 7 8 1 0 0 0 0 41 7 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 31 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 24 13 1 0 0 0 0 14 15 1 6 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 78 2 0 0 0 0 17 79 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 41 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 46 1 0 0 0 0 26 28 1 0 0 0 0 26 27 1 1 0 0 0 28 80 1 0 0 0 0 28 29 1 6 0 0 0 71 30 1 1 0 0 0 31 41 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 41 37 1 1 0 0 0 38 40 1 0 0 0 0 38 39 2 0 0 0 0 80 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 71 1 0 0 0 0 46 47 1 1 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 108 51 2 0 0 0 0 51 54 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 52 54 2 0 0 0 0 53 82 2 0 0 0 0 55 53 1 0 0 0 0 56 55 1 1 0 0 0 56 61 1 0 0 0 0 56 57 1 0 0 0 0 58 57 1 0 0 0 0 63 58 1 0 0 0 0 58 59 1 6 0 0 0 59 60 1 0 0 0 0 61 63 1 0 0 0 0 61 62 1 1 0 0 0 63 64 1 1 0 0 0 76 64 1 0 0 0 0 70 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 69 68 1 0 0 0 0 72 69 1 0 0 0 0 71 70 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 6 0 0 0 76 73 1 0 0 0 0 76 75 2 0 0 0 0 76 77 1 0 0 0 0 80 81 1 0 0 0 0 82107 1 0 0 0 0 107 83 2 0 0 0 0 108 83 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 88 1 0 0 0 0 86 87 2 0 0 0 0 89 1 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 91 96 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 95 99 1 0 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 100 99 1 1 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 101102 1 0 0 0 0 102 89 1 1 0 0 0 102103 1 0 0 0 0 103104 1 6 0 0 0 103105 1 0 0 0 0 105106 1 6 0 0 0 83110 1 0 0 0 0 107109 1 0 0 0 0 8 1 1 0 0 0 0 4 1 1 0 0 0 0 12 1 1 0 0 0 0 54 1 1 0 0 0 0 M CHG 6 1 -3 4 1 8 1 12 1 54 1 77 -1 M END > CHEBI:18408 > cobamamide > A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12. > 3 > CHEBI:13739; CHEBI:23340; CHEBI:3797 > Vitamin B12 coenzyme; Funacomide; DMBC coenzyme; Dibencozide; Deoxyadenosylcobalamin; DBC coenzyme; Coenzyme B12; coenzyme B-12; cobamide coenzyme; Cobamamide; cobamamid; Cobalamin coenzyme; Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-adenosylcobamide; Calomide; alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme; AdoCbl; adenosylcobalamin; Adenosylcobalamin; Adenosylcob(III)alamin; adenosylcob(III)alamin; 5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide; 5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide; 5'-deoxyadenosylcobalamin; 5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide; 5'-deoxyadenosyl vitamin B12; 5'-Deoxy-5'-adenosylcobalamin; 5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide; 5'-Deoxy-5'-adenosyl vitamin B12; (5,6-dimethylbenzimidazolyl)cobamide coenzyme; (5,6-Dimethylbenzimidazolyl)cobamide coenzyme > Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide > cobamamidum; cobamamide; cobamamide; cobamamida > Calomide > C72H100CoN18O17P > 1579.58180 > 1578.65834 > 0 > [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[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 > InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1 > ZIHHMGTYZOSFRC-OUCXYWSSSA-L > 4122932 > 13870-90-1 > 439994 > 4122932 > 13870-90-1 > DB11191 > C00194 > ADENOSYLCOBALAMIN > B1Z > Cobamamide > 11792214; 12093296; 17011224 $$$$