D54
Summary
| Name: | 4-deoxy-L-threo-hex-5-ulosuronic acid |
| Synonyms: | 5-keto-4-deoxy-D-Galacturonate |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-deoxy-L-threo-hex-5-ulosuronic acid |
| OpenEye OEToolkits | 1.7.0 | (4S,5R)-4,5-dihydroxy-2,6-dioxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(O)C(O)CC(=O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H](CC(=O)C(O)=O)[C@@H](O)C=O |
| SMILES | CACTVS | 3.370 | O[CH](CC(=O)C(O)=O)[CH](O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(C=O)O)O)C(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | IMUGYKFHMJLTOU-UCORVYFPSA-N |
