Showing Metabocard for 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (BASm0006484)
| Common Name | 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C34H42N7O19P3S |
| Average Mass | 977.72000 |
| Monoisotopic Mass | 977.14910 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(C)c2ccc(O)c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)([O-])[O-])c2c1 |
| InChI Identifier | InChI=1S/C34H46N7O19P3S/c1-17-11-18(55-4)12-20-19(17)5-6-21(42)24(20)33(47)64-10-9-36-23(43)7-8-37-31(46)28(45)34(2,3)14-57-63(53,54)60-62(51,52)56-13-22-27(59-61(48,49)50)26(44)32(58-22)41-16-40-25-29(35)38-15-39-30(25)41/h5-6,11-12,15-16,22,26-28,32,42,44-45H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/t22-,26-,27-,28+,32-/m1/s1 |
| InChI Key | NZEXFTJEVMQGIT-GMHMEAMDSA-J |
| CHEBI ID | CHEBI:78376 |
| MiMeDB ID | MMDBc0055241 |
| 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 |