Showing Metabocard for iminosuccinate (BASm0006318)
| Common Name | Iminosuccinate |
|---|---|
| Description | Iminoaspartic acid is a substrate for D-aspartate oxidase. |
| Structure | |
| Molecular Formula | C4H5NO4 |
| Average Mass | 131.08680 |
| Monoisotopic Mass | 131.02186 |
| IUPAC Name | 2-iminobutanedioic acid |
| Traditional Name | Iminosuccinate |
| CAS Registry Number | 79067-61-1 |
| SMILES | [NH2+]=C(CC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9) |
| InChI Key | NMUOATVLLQEYHI-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:77875 |
| HMDB ID | HMDB0001131 |
| State | Solid |
| Water Solubility | 4.26e+00 g/l |
| logP | -0.83 |
| logS | -1.49 |
| pKa (Strongest Acidic) | 3.28 |
| pKa (Strongest Basic) | 2.48 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 98.45 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 36.81 m³·mol⁻¹ |
| Polarizability | 10.55 |