KDD
Summary
| Name: | 2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid |
| Synonyms: | 5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid |
| Formula: | C8 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 204.177 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-oxidanyl-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12O6/c9-3-5(11)6-1-4(10)2-7(14-6)8(12)13/h2,4-6,9-11H,1,3H2,(H,12,13)/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | DVEBLXNKVWKMJU-PBXRRBTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H]1C[C@@H](O)C=C(O1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C=C(OC1C(CO)O)C(=O)O)O |
