5UK
Summary
| Name: | 2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID |
| Formula: | C7 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 203.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3E)-2-(3-hydroxy-2-oxopropyl)-3-iminobutanedioic acid |
| OpenEye OEToolkits | 2.0.4 | (3~{S})-2-azanylidene-3-(3-oxidanyl-2-oxidanylidene-propyl)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(\C(=N)C(C(O)=O)CC(CO)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | RVRAXUFLRLVVQJ-FMAAMLBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)C[C@H](C(O)=O)C(=N)C(O)=O |
| SMILES | CACTVS | 3.385 | OCC(=O)C[CH](C(O)=O)C(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(C(C(=N)C(=O)O)C(=O)O)C(=O)CO |
