| PDB CCD ID: | 8TU |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C16 H32 O6 |
| InChI: | InChI=1S/C16H32O6/c1-3-6-12(10-16(2,21)22)13(11-17)9-14(18)7-4-5-8-15(19)20/h12-14,17-18,21-22H,3-11H2,1-2H3,(H,19,20)/t12-,13+,14+/m0/s1 |
| InChIKey: | XPIGONIHXZGSPX-BFHYXJOUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCCC(CC(C)(O)O)C(CC(CCCCC(=O)O)O)CO | | OpenEye OEToolkits 2.0.6 | CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO | | CACTVS 3.385 | CCC[CH](CC(C)(O)O)[CH](CO)C[CH](O)CCCCC(O)=O | | CACTVS 3.385 | CCC[C@@H](CC(C)(O)O)[C@@H](CO)C[C@H](O)CCCCC(O)=O |
|
| Name: | (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid |
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