Showing Metabocard for (3Z)-phytochromobilin (BASm0002698)
| Common Name | (3z)-phytochromobilin |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C33H36N4O6 |
| Average Mass | 584.67300 |
| Monoisotopic Mass | 584.26348 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C\C)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O |
| InChI Identifier | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1 |
| InChI Key | DKMLMZVDTGOEGU-AIKFXVFZSA-N |
| CHEBI ID | CHEBI:57439 |
| MiMeDB ID | MMDBc0050370 |
| 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 |