Showing Metabocard for (3E,5R)-5-carboxy-2-oxohept-3-enedioate (BASm0007631)
| Common Name | (3e,5r)-5-carboxy-2-oxohept-3-enedioate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C8H5O7 |
| Average Mass | 213.12300 |
| Monoisotopic Mass | 213.00517 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C[C@H](/C=C/C(=O)C(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+/t4-/m0/s1 |
| InChI Key | WHGVLEMQINVDLH-QPHDTYRISA-K |
| CHEBI ID | CHEBI:87491 |
| MiMeDB ID | MMDBc0054880 |
| 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 |