Showing Metabocard for pentadecanoyl-CoA (BASm0005412)
| Common Name | Pentadecanoyl-coa |
|---|---|
| Description | Pentadecanoyl-CoA is also known as Pentadecanoyl-coenzyme A(4-). Pentadecanoyl-CoA is considered to be slightly soluble (in water) and acidic |
| Structure | |
| Molecular Formula | C36H64N7O17P3S |
| Average Mass | 991.92000 |
| Monoisotopic Mass | 991.32923 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCCCCCCCCC(=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-] |
| InChI Identifier | InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51) |
| InChI Key | VLBCUOVMSMAIJC-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:74309 |
| HMDB ID | HMDB0062518 |
| 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 |