| PDB CCD ID: | SHB |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C7 H12 O7 |
| InChI: | InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1 |
| InChIKey: | DICCNWCUKCYGNF-SXUWKVJYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | COC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O | | ACDLabs 10.04 | O=C(OC)C1OC(O)C(O)C(O)C1O | | OpenEye OEToolkits 1.5.0 | COC(=O)C1C(C(C(C(O1)O)O)O)O | | CACTVS 3.341 | COC(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
|
| Name: | methyl beta-D-galactopyranuronate |
| ChEMBL: | CHEMBL490226 |
| ZINC: | ZINC000004336491 |
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