Coalpha-[alpha-(adenin-7-yl)]-Cobeta-adenosylcobamide

Properties Image Occurences in reactions MNX_ID MNXM160653 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C68H95CoN21O17P charge 0 mass 1567.62844 reference metacycM:CPD-17189 InChIKey FPJHYSJJUNINIK-DEWHXLKRSA-L InChI InChI=1S/C58H85N16O14P.C10H12N5O3.Co/c1-26(87-89(84,85)88-47-34(23-75)86-53(46(47)83)74-25-69-52-45(74)51(65)67-24-68-52)22-66-42(82)16-17-55(6)32(18-39(62)79)50-58(9)57(8,21-41(64)81)31(12-15-38(61)78)44(73-58)28(3)49-56(7,20-40(63)80)29(10-13-36(59)76)33(70-49)19-35-54(4,5)30(11-14-37(60)77)43(71-35)27(2)48(55)72-50;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-26,29-32,34,46-47,50,53,75,83H,10-18,20-23H2,1-9H3,(H17,59,60,61,62,63,64,65,66,67,68,70,71,72,73,76,77,78,79,80,81,82,84,85);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t26-,29+,30+,31+,32-,34+,46+,47+,50+,53-,55-,56-,57-,58-;4-,6-,7-,10-;/m01./s1 SMILES CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@]6(C)CCC(=O)NC[C@H](C)OP(=O)([O-])O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9ncnc(N)c96)[Co-3]753(C[C@H]3O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]3O)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph