| PDB CCD ID: | SKM |
| Number of entries in BioLiP: | 63 |
| Chemical formula: | C7 H10 O5 |
| InChI: | InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 |
| InChIKey: | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O | | OpenEye OEToolkits 1.5.0 | C1C(C(C(C=C1C(=O)O)O)O)O | | OpenEye OEToolkits 1.5.0 | C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O | | CACTVS 3.341 | O[CH]1CC(=C[CH](O)[CH]1O)C(O)=O | | ACDLabs 10.04 | O=C(O)C1=CC(O)C(O)C(O)C1 |
|
| Name: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID;
SHIKIMATE |
| ChEMBL: | CHEMBL290345 |
| ZINC: | ZINC000003860720 |
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