Coalpha-[alpha-(5-methoxybenzimidazolyl)]-Cobeta-adenosylcobamide 5'-phosphate

Properties Image Occurences in reactions MNX_ID MNXM38191 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C71H97CoN18O21P2 charge -2 mass 1658.58938 reference metacycM:CPD-13940 InChIKey AOZIWPIWBKOFIH-AQBUFCLLSA-J InChI InChI=1S/C61H89N13O18P2.C10H12N5O3.Co/c1-29(91-94(86,87)92-52-40(27-89-93(83,84)85)90-56(51(52)82)74-28-69-38-21-32(88-10)11-15-39(38)74)26-68-48(81)19-20-58(6)36(22-45(65)78)55-61(9)60(8,25-47(67)80)35(14-18-44(64)77)50(73-61)31(3)54-59(7,24-46(66)79)33(12-16-42(62)75)37(70-54)23-41-57(4,5)34(13-17-43(63)76)49(71-41)30(2)53(58)72-55;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h11,15,21,23,28-29,33-36,40,51-52,55-56,82H,12-14,16-20,22,24-27H2,1-10H3,(H17,62,63,64,65,66,67,68,70,71,72,73,75,76,77,78,79,80,81,83,84,85,86,87);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4/t29-,33-,34-,35-,36+,40-,51-,52-,55-,56+,58-,59+,60+,61+;4-,6-,7-,10-;/m11./s1 SMILES COc1ccc2c(c1)[n+]1cn2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]3(C)C4=C(C)C5=[N+]6C(=CC7=[N+]8C(=C(C)C9=[N+]%10[C@@](C)([C@@H]([C@@H]3CC(N)=O)N4[Co-3]68%101C[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@@](C)(CC(N)=O)[C@@H]9CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)C(C)(C)[C@@H]5CCC(N)=O)[C@H]2O

Parent-child relations graph

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