Showing Metabocard for 2-phenylsuccinyl-CoA (BASm0011895)
| Common Name | 2-phenylsuccinyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])c1ccccc1 |
| InChI Identifier | InChI=1S/C31H44N7O19P3S/c1-31(2,25(43)28(44)34-9-8-20(39)33-10-11-61-30(45)18(12-21(40)41)17-6-4-3-5-7-17)14-54-60(51,52)57-59(49,50)53-13-19-24(56-58(46,47)48)23(42)29(55-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,42-43H,8-14H2,1-2H3,(H,33,39)(H,34,44)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t18?,19-,23-,24-,25+,29-/m1/s1 |
| InChI Key | KODKGCNKVWLCNY-NVQRUNIKSA-I |
| CHEBI ID | CHEBI:188357 |
| State | Not Available |
| 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 |