Aquacob(III)alamin

Properties Image Occurences in reactions MNX_ID MNXM1104282 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C62H90CoN13O15P charge 1 mass 1346.57434 reference keggC:C00992 InChIKey YOZNUFWCRFCGIH-UVKKECPRSA-L InChI InChI=1S/C62H90N13O14P.Co.H2O/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;;/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);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1 SMILES C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N([Co+]O)C([C@H](CC(N)=O)[C@@]4(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]4[C@@H](CO)O[C@H](n5cnc6cc(C)c(C)cc65)[C@@H]4O)[C@]4(C)N=C1[C@@H](CCC(N)=O)[C@]4(C)CC(N)=O)[C@@H](CCC(N)=O)C3(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph