Showing Metabocard for mycophenolyl-CoA (BASm0011402)
| Common Name | Mycophenolyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C38H50N7O21P3S |
| Average Mass | 1065.83000 |
| Monoisotopic Mass | 1065.20153 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C(=O)OC2 |
| InChI Identifier | InChI=1S/C38H54N7O21P3S/c1-19(6-8-21-28(48)26-22(14-61-37(26)52)20(2)30(21)60-5)7-9-25(47)70-13-12-40-24(46)10-11-41-35(51)32(50)38(3,4)16-63-69(58,59)66-68(56,57)62-15-23-31(65-67(53,54)55)29(49)36(64-23)45-18-44-27-33(39)42-17-43-34(27)45/h6,17-18,23,29,31-32,36,48-50H,7-16H2,1-5H3,(H,40,46)(H,41,51)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/p-4/b19-6+/t23-,29-,31-,32+,36-/m1/s1 |
| InChI Key | RZGVYPYOUBIPOV-NMQLJLOUSA-J |
| CHEBI ID | CHEBI:167447 |
| MiMeDB ID | MMDBc0056097 |
| 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 |