Showing Metabocard for all-trans-octaprenyl diphosphate (BASm0002906)
| Common Name | All-trans-octaprenyl diphosphate |
|---|---|
| Description | Farnesylfarnesylgeranyl-PP is a member of the chemical class known as Tetraterpenes. These are terpene molecules containing 8 consecutively linked isoprene units. It is an intermediate in ubiquinone biosysnthesis in the reaction farnesylfarnesylgeranyl-PP + p-hydroxybenzoate = 3-octaprenyl-4-hydroxybenzoate + pyrophosphate |
| Structure | |
| Molecular Formula | C40H65O7P2 |
| Average Mass | 719.88740 |
| Monoisotopic Mass | 719.42055 |
| IUPAC Name | {[hydroxy({[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid |
| Traditional Name | {hydroxy[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxyphosphoryl}oxyphosphonic acid |
| CAS Registry Number | Not Available |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/p-3/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ |
| InChI Key | IKKLDISSULFFQO-DJMILUHSSA-K |
| CHEBI ID | CHEBI:57711 |
| MiMeDB ID | MMDBc0031701 |
| State | Expected Solid |
| Water Solubility | 3.70e-04 g/l |
| logP | 7.60 |
| logS | -6.29 |
| pKa (Strongest Acidic) | 1.77 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 113.29 Ų |
| Rotatable Bond Count | 26 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 215.74 m³·mol⁻¹ |
| Polarizability | 86.26 |