| PDB CCD ID: | WPL |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C8 H14 O5 |
| InChI: | InChI=1S/C8H14O5/c1-4-2-8(13,7(11)12)3-5(9)6(4)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,8-/m0/s1 |
| InChIKey: | NMVUNDOHFYILSF-FJDLHZNMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1CC(CC(C1O)O)(C(=O)O)O | | OpenEye OEToolkits 2.0.6 | C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O | | CACTVS 3.385 | C[CH]1C[C](O)(C[CH](O)[CH]1O)C(O)=O | | CACTVS 3.385 | C[C@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O |
|
| Name: | (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid |
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