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Ligand ID | BEM |
InChI | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1 |
InChIKey | AEMOLEFTQBMNLQ-SYJWYVCOSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O | OpenEye OEToolkits 1.5.0 | C1(C(C(OC(C1O)O)C(=O)O)O)O | CACTVS 3.341 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O | ACDLabs 10.04 | O=C(O)C1OC(O)C(O)C(O)C1O | CACTVS 3.341 | O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O |
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Formula | C6 H10 O7 |
Name | beta-D-mannopyranuronic acid; beta-D-mannuronic acid; D-mannuronic acid; mannuronic acid; (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000004095780
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PDB chain | 8xfr Chain B Residue 4
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