NAV
Summary
| Name: | 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID |
| Formula: | C11 H19 N O8 |
| Formal charge: | 0 |
| Formula weight: | 293.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(acetylamino)-2,3,5-trideoxy-D-manno-non-4-ulosonic acid |
| OpenEye OEToolkits | 1.5.0 | (5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-oxo-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(C(C(C(CO)O)O)O)C(=O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | IZVFSUJQAOHESA-QCNRFFRDSA-N |
