V4W
Summary
| Name: | 4-deoxy-L-erythro-hex-5-ulosuronic acid |
| Synonyms: | (4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoic acid; 4-deoxy-L-erythro-5-hexoseulose uronic acid; 440352 |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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-WVZVXSGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CC(=O)C(O)=O)[C@H](O)C=O |
| SMILES | CACTVS | 3.385 | O[CH](CC(=O)C(O)=O)[CH](O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(C=O)O)O)C(=O)C(=O)O |
