| PDB CCD ID: | 3DS |
| Number of entries in BioLiP: | 9 |
| Chemical formula: | C7 H8 O5 |
| InChI: | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 |
| InChIKey: | SLWWJZMPHJJOPH-PHDIDXHHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1C(C(C(=O)C=C1C(=O)O)O)O | | CACTVS 3.370 | O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O | | CACTVS 3.370 | O[CH]1CC(=CC(=O)[CH]1O)C(O)=O | | ACDLabs 12.01 | O=C1C=C(C(=O)O)CC(O)C1O | | OpenEye OEToolkits 1.7.6 | C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O |
|
| Name: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid;
3-dehydroshikimate |
| DrugBank: | DB04347 |
| ZINC: | ZINC000100018238 |
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