5XW
Summary
| Name: | (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid |
| Formula: | C7 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 203.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO6/c9-2-1-5(10)8-4(7(13)14)3-6(11)12/h2,5,10H,1,3H2,(H,11,12)(H,13,14)/b8-4-/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | BKMLHLNYNPUNII-RZTYMHDWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CC=O)N=C(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CC=O)N=C(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(C=O)C(N=C(CC(=O)O)C(=O)O)O |
