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| Ligand ID | EQP |
| InChI | InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1 |
| InChIKey | QITAGYVZDNZULE-IHICSVBISA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO | | CACTVS 3.341 | CC(=O)N[C@@H]1[C@@H](O)C[C@H](O[C@H]1[C@H](O)[C@H](O)CO)[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O | | CACTVS 3.341 | CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O |
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| Formula | C10 H20 N O9 P |
| Name | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol;
(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000005884132
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| PDB chain | 1inv Chain A Residue 500
[Download ligand structure]
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[View ligand structure]
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