KDO
Summary
| Name: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid |
| Synonyms: | 3-deoxy-d-manno-oct-2-ulopyranosonic acid 2-keto-3-deoxy-D-mannooctanoic acid; 3-deoxy-alpha-D-manno-oct-2-ulosonic acid; 3-deoxy-D-manno-oct-2-ulosonic acid; 3-deoxy-manno-oct-2-ulosonic acid |
| Formula: | C8 H14 O8 |
| Formal charge: | 0 |
| Formula weight: | 238.192 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxy-oxane-2-carboxylic acid |
| GMML | 1.0 | DKdopa |
| PDB-CARE | 1.0 | a-D-Kdop |
| GMML | 1.0 | Kdo |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(OC1(C(=O)O)O)C(CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | NNLZBVFSCVTSLA-HXUQBWEZSA-N |
