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| Ligand ID | 18D |
| InChI | InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1 |
| InChIKey | QZBCMZXFDLYCRV-BLMTXZDNSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.352 | CCC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O | | OpenEye OEToolkits 1.6.1 | CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O | | ACDLabs 10.04 | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1 | | OpenEye OEToolkits 1.6.1 | CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O | | CACTVS 3.352 | CCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
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| Formula | C12 H21 N O9 |
| Name | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid;
3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosonic acid;
3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058633548
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| PDB chain | 4k6w Chain C Residue 401
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[View ligand structure]
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