For research use only. Not for therapeutic Use.
| Catalog Number | M096189 |
| CAS Number | 147736-07-0 |
| Synonyms | adenosylcobinamide methyl phosphate |
| Molecular Formula | C59H85CoN16O14P+ |
| Purity | ≥95% |
| Storage | Desiccate at -20°C |
| IUPAC Name | 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2$l^{5} |
| InChI | InChI=1S/C49H74N11O11P.C10H12N5O3.Co/c1-24-39-27(12-15-33(51)62)44(3,4)31(58-39)20-30-26(11-14-32(50)61)46(6,21-36(54)65)42(57-30)25(2)40-28(13-16-34(52)63)47(7,22-37(55)66)49(9,60-40)43-29(19-35(53)64)45(5,41(24)59-43)18-17-38(67)56-23-48(8)70-72(68,69-10)71-48;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,26-29,43H,11-19,21-23H2,1-10H3,(H14,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+3/p-1 |
| InChIKey | CGSLOOBHAHVNGB-UHFFFAOYSA-M |
| SMILES | CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC6(OP(=O)(O6)OC)C.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3] |
