| PDB CCD ID: | OVY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H20 N2 O9 |
| InChI: | 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: | ROZSOFSDDJZICT-HMLDMLNFSA-N |
| SMILES: | | Software | SMILES |
|---|
| 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 | | OpenEye OEToolkits 2.0.7 | CC(=O)NC(C(CC(=NO)C(=O)O)O)C(C(C(CO)O)O)O | | 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 | | ACDLabs 12.01 | C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=N\O)O)(C)=O | | CACTVS 3.385 | CC(=O)N[CH]([CH](O)CC(=NO)C(O)=O)[CH](O)[CH](O)[CH](O)CO |
|
| Name: | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
umich.edu