Showing Metabocard for Mo-molybdopterin guanine dinucleotide (BASm0005005)
| Common Name | Mo-molybdopterin guanine dinucleotide |
|---|---|
| Description | An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups and deprotonation of the OH group directly attached to Mo in Mo(VI)-molybdopterin guanine dinucleotide. |
| Structure | |
| Molecular Formula | C20H22MoN10O16P2S2 |
| Average Mass | 880.47000 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | Nc1nc2c(c(=O)[nH]1)N[C@H]1C3=C(S[Mo-](=O)(=O)([O-])S3)[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)O[C@H]1N2 |
| InChI Identifier | InChI=1S/C20H26N10O13P2S2.Mo.3O/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;;;/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;;;/q;+1;;;-1/p-4/t4-,5-,6+,9-,10-,17-,18-;;;;/m1..../s1 |
| InChI Key | CNPFNNZEOHNPEQ-HXAHJUJRSA-J |
| CHEBI ID | CHEBI:71310 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | -4 |
| Polarizability | Not Available |