Showing Metabocard for adenylyl-molybdopterin (BASm0004347)
| Common Name | Adenylyl-molybdopterin |
|---|---|
| Description | Molybdopterin-AMP belongs to the class of organic compounds known as molybdopterin dinucleotides. These are a dinucleotide that is made up of a molybdopterin and a purine or pyrimidine base linked to each other through a phosphate chain. ATP reacts with molybdopterin to produce molybdopterin-AMP and diphosphate. Molybdopterin-AMP is a very strong basic compound (based on its pKa). Molybdopterin-AMP exists in all living organisms, ranging from bacteria to humans. Molybdopterin-AMP is involved in molybdenum cofactor biosynthesis. Molybdopterin-AMP is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
| Structure | |
| Molecular Formula | C20H26N10O12P2S2 |
| Average Mass | 724.56000 |
| Monoisotopic Mass | 724.06480 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C([S-])[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O[C@H]1N2 |
| InChI Identifier | InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33) |
| InChI Key | XJXFAXLUOKQPAQ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:62727 |
| State | 1 |
| 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 | Not Available |
| Polarizability | Not Available |