OVY
Summary
| Name: | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
| Formula: | C11 H20 N2 O9 |
| Formal charge: | 0 |
| Formula weight: | 324.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2-hydroxyimino-4,6,7,8,9-pentakis(oxidanyl)nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=N\O)O)(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O9/c1-4(15)12-8(10(19)9(18)7(17)3-14)6(16)2-5(13-22)11(20)21/h6-10,14,16-19,22H,2-3H2,1H3,(H,12,15)(H,20,21)/b13-5+/t6-,7+,8+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | ROZSOFSDDJZICT-HMLDMLNFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]([C@@H](O)C\C(=N/O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]([CH](O)CC(=NO)C(O)=O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(C(CC(=NO)C(=O)O)O)C(C(C(CO)O)O)O |
