| PDB CCD ID: | GCB |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C6 H8 O7 |
| InChI: | InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1 |
| InChIKey: | YLKFQNUGXOLRNI-QDQPNEQZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O | | ACDLabs 10.04 | O=C1OC(C(=O)O)C(O)C(O)C1O | | OpenEye OEToolkits 1.5.0 | C1(C(C(OC(=O)C1O)C(=O)O)O)O | | CACTVS 3.341 | O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O | | CACTVS 3.341 | O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O |
|
| Name: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid;
D-GLUCARO-1,5-LACTONE |
| ChEMBL: | CHEMBL4589322 |
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