|
| Ligand ID | MN0 |
| InChI | InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1 |
| InChIKey | NFUCYHODBBSMAK-BLMTXZDNSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | COC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)CO)O)C(=O)O | | OpenEye OEToolkits 1.7.2 | CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O | | ACDLabs 12.01 | O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO | | CACTVS 3.370 | CO[C]1(C[CH](O)[CH](NC(=O)CO)[CH](O1)[CH](O)[CH](O)CO)C(O)=O | | CACTVS 3.370 | CO[C@@]1(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |
|
| Formula | C12 H21 N O10 |
| Name | methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid;
methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-galacto-non-2-ulosidonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 3sis Chain A Residue 6535
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
