Showing Metabocard for 3-dehydroquinate (BASm0001829)
| Common Name | 3-dehydroquinate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C7H10O6 |
| Average Mass | 190.15100 |
| Monoisotopic Mass | 190.04774 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C1C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]1O |
| InChI Identifier | InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3?,5?,7-/m0/s1 |
| InChI Key | WVMWZWGZRAXUBK-INIBJCBLSA-N |
| CHEBI ID | CHEBI:32364 |
| HMDB ID | HMDB0186481 |
| 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 | Not Available |
| Polarizability | Not Available |