| PDB CCD ID: | QG6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H28 O4 |
| InChI: | InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1 |
| InChIKey: | LIIPZKBBDLBJSA-HZSPNIEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O | | CACTVS 3.385 | CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(O)=O | | CACTVS 3.385 | CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O | | OpenEye OEToolkits 2.0.7 | CCCC(C)CCCOC(=O)C1CCCCC1C(=O)O |
|
| Name: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid;
MINCH |
umich.edu