NAY
Summary
| Name: | 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-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)-3,4,5-trideoxy-D-manno-non-2-ulosonic acid |
| OpenEye OEToolkits | 1.5.0 | (5R,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-oxo-nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CCC(NC(=O)C)C(O)C(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H](CCC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](CCC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CCC(=O)C(=O)O)C(C(C(CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO8/c1-5(14)12-6(2-3-7(15)11(19)20)9(17)10(18)8(16)4-13/h6,8-10,13,16-18H,2-4H2,1H3,(H,12,14)(H,19,20)/t6-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | HWTGNSKUIIUDOU-PEBGCTIMSA-N |
