Showing Metabocard for D-octopine (BASm0002765)
| Common Name | D-octopine |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C9H18N4O4 |
| Average Mass | 246.26700 |
| Monoisotopic Mass | 246.13281 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1 |
| InChI Key | IMXSCCDUAFEIOE-RITPCOANSA-N |
| CHEBI ID | CHEBI:57520 |
| MiMeDB ID | MMDBc0055871 |
| 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 |