Showing Metabocard for 3-dehydroshikimate (BASm0000685)
| Common Name | 3-dehydroshikimate |
|---|---|
| Description | A monocarboxylic acid anion that is the conjugate base of 3-dehydroshikimic acid, arising from deprotonation of the carboxy group. |
| Structure | |
| Molecular Formula | C7H7O5 |
| Average Mass | 171.12750 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C1=CC(=O)[C@@H](O)[C@H](O)C1 |
| InChI Identifier | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/p-1/t5-,6-/m1/s1 |
| InChI Key | SLWWJZMPHJJOPH-PHDIDXHHSA-M |
| CHEBI ID | CHEBI:16630 |
| State | Not Available |
| 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 | -1 |
| Polarizability | Not Available |