Showing Metabocard for 6-methyl-3,7-dioxodecanedioyl-CoA (BASm0011339)
| Common Name | 6-methyl-3,7-dioxodecanedioyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C32H45N7O21P3S |
| Average Mass | 988.72000 |
| Monoisotopic Mass | 988.16295 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])C(=O)CCC(=O)[O-] |
| InChI Identifier | InChI=1S/C32H50N7O21P3S/c1-17(19(41)6-7-22(43)44)4-5-18(40)12-23(45)64-11-10-34-21(42)8-9-35-30(48)27(47)32(2,3)14-57-63(54,55)60-62(52,53)56-13-20-26(59-61(49,50)51)25(46)31(58-20)39-16-38-24-28(33)36-15-37-29(24)39/h15-17,20,25-27,31,46-47H,4-14H2,1-3H3,(H,34,42)(H,35,48)(H,43,44)(H,52,53)(H,54,55)(H2,33,36,37)(H2,49,50,51)/p-5/t17?,20-,25-,26-,27+,31-/m1/s1 |
| InChI Key | AXSVBUFHIJJGAA-UKABSPJOSA-I |
| CHEBI ID | CHEBI:167102 |
| MiMeDB ID | MMDBc0055604 |
| 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 |