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| Ligand ID | MGS |
| InChI | InChI=1S/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7-,8-,9+,10+,12+/m1/s1 |
| InChIKey | NGGZJRAGGXAXNO-DZXYHILESA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O | | CACTVS 3.341 | CO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H]1OC | | ACDLabs 10.04 | O=C(NC1C(OC(OC)C(OC)C1O)C)C(O)CCO | | CACTVS 3.341 | CO[CH]1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[CH]1OC | | OpenEye OEToolkits 1.5.0 | CC1C(C(C(C(O1)OC)OC)O)NC(=O)C(CCO)O |
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| Formula | C12 H23 N O7 |
| Name | methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside;
1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE;
methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannoside;
methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-D-mannoside;
methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-mannoside |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000006490928
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| PDB chain | 1f4x Chain H Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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