Showing Metabocard for 5-methyl-5,6,7,8-tetrahydromethanopterin (BASm0003207)
| Common Name | 5-methyl-5,6,7,8-tetrahydromethanopterin |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C31H44N6O16P |
| Average Mass | 787.69400 |
| Monoisotopic Mass | 787.25679 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@@H]1Nc2nc(N)[nH]c(=O)c2N(C)[C@H]1[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]2O)cc1 |
| InChI Identifier | InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/p-3/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1 |
| InChI Key | SWBKYDXMQNCIAW-ZQPYBXQSSA-K |
| CHEBI ID | CHEBI:58116 |
| MiMeDB ID | MMDBc0048047 |
| State | Expected Solid |
| 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 |