Showing Metabocard for S-adenosyl-4-methylsulfanyl-2-oxobutanoate (BASm0000642)
| Common Name | S-adenosyl-4-methylsulfanyl-2-oxobutanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C15H19N5O6S |
| Average Mass | 397.40600 |
| Monoisotopic Mass | 397.10560 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[S+](CCC(=O)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| InChI Identifier | InChI=1S/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/t8-,10-,11-,14-,27?/m1/s1 |
| InChI Key | UOKVQQMBGVMXPU-CJPDYEHRSA-N |
| CHEBI ID | CHEBI:16490 |
| MiMeDB ID | MMDBc0054658 |
| 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 |