Showing Metabocard for 4-methyl-5-oxo-octanedioyl-CoA (BASm0011340)
| Common Name | 4-methyl-5-oxo-octanedioyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C30H43N7O20P3S |
| Average Mass | 946.69000 |
| Monoisotopic Mass | 946.15239 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(CCC(=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/C30H48N7O20P3S/c1-16(17(38)5-6-20(40)41)4-7-21(42)61-11-10-32-19(39)8-9-33-28(45)25(44)30(2,3)13-54-60(51,52)57-59(49,50)53-12-18-24(56-58(46,47)48)23(43)29(55-18)37-15-36-22-26(31)34-14-35-27(22)37/h14-16,18,23-25,29,43-44H,4-13H2,1-3H3,(H,32,39)(H,33,45)(H,40,41)(H,49,50)(H,51,52)(H2,31,34,35)(H2,46,47,48)/p-5/t16?,18-,23-,24-,25+,29-/m1/s1 |
| InChI Key | OAGAGDFENNYUCN-VGNFRWPCSA-I |
| CHEBI ID | CHEBI:167103 |
| MiMeDB ID | MMDBc0055518 |
| 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 |