GXP
Summary
| Name: | (4S)-4-hydroxy-2,5-dioxopentanoic acid |
| Formula: | C5 H6 O5 |
| Formal charge: | 0 |
| Formula weight: | 146.098 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-hydroxy-2,5-dioxopentanoic acid |
| OpenEye OEToolkits | 1.7.6 | (4S)-4-oxidanyl-2,5-bis(oxidanylidene)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(O)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h2-3,7H,1H2,(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | QZKCWTOLHHFWCD-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CC(=O)C(O)=O)C=O |
| SMILES | CACTVS | 3.385 | O[CH](CC(=O)C(O)=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H](C=O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C=O)O)C(=O)C(=O)O |
