Showing Metabocard for beta-staphylobilin (BASm0005436)
| Common Name | Beta-staphylobilin |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C33H32N4O7 |
| Average Mass | 596.64100 |
| Monoisotopic Mass | 596.22820 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=C(C)/C(=C/c2[nH]c(C(=O)c3[nH]c(/C=C4\NC(=O)C(C)=C4CCC(=O)[O-])c(CCC(=O)[O-])c3C)c(C)c2C=C)NC1=O |
| InChI Identifier | InChI=1S/C33H34N4O7/c1-7-19-16(4)29(34-24(19)13-23-15(3)20(8-2)33(44)36-23)31(42)30-17(5)21(9-11-27(38)39)25(35-30)14-26-22(10-12-28(40)41)18(6)32(43)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,44)(H,37,43)(H,38,39)(H,40,41)/p-2/b23-13-,26-14- |
| InChI Key | ULCYRFMKALIVKM-BIBXUMTPSA-L |
| CHEBI ID | CHEBI:74362 |
| MiMeDB ID | MMDBc0055775 |
| 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 |