Showing Metabocard for carboxy-S-adenosyl-L-methionine (BASm0008580)
| Common Name | Carboxy-s-adenosyl-l-methionine |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C16H22N6O7S |
| Average Mass | 442.45000 |
| Monoisotopic Mass | 442.12707 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](CC[C@H]([NH3+])C(=O)[O-])CC(=O)[O-])[C@@H](O)[C@H]1O |
| InChI Identifier | InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30?/m0/s1 |
| InChI Key | VFFTYSZNZJBRBG-DYXDMYNLSA-N |
| CHEBI ID | CHEBI:134278 |
| MiMeDB ID | MMDBc0056396 |
| 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 |