AQA
Summary
| Name: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid |
| Synonyms: | 4-deoxy-beta-L-threo-hex-4-enuronic acid 4-deoxy-L-threo-hex-4-enuronic acid; 4-deoxy-threo-hex-4-enuronic acid |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | L-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S})-2,3,4-tris(oxidanyl)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
| PDB-CARE | 1.0 | a-D-4-deoxy-GlcpA4en |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1OC(C(C(C=1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | IAKKJSVSFCTLRY-DJSBZWDSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(OC(C(C1O)O)O)C(=O)O |
