XQB
Summary
| Name: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic 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 | 2.0.6 | (3~{S})-2-azanylidene-3-[(2~{S})-2-oxidanyl-3-oxidanylidene-propyl]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | VTUFCOFLPXRECR-HFOCJQNASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C[C@H](C(O)=O)C(=N)C(O)=O)C=O |
| SMILES | CACTVS | 3.385 | O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C=O)O)C(C(=N)C(=O)O)C(=O)O |
