| PDB CCD ID: | PAY |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H18 O8 |
| InChI: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7+,8+/m0/s1 |
| InChIKey: | UEYGDIASMOPQFG-XLPZGREQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O | | CACTVS 3.341 | C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O | | CACTVS 3.341 | C[C@@H](C[C@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O | | ACDLabs 10.04 | O=C(O)C(C)CC(C(=O)O)CC(C(=O)O)CCC(=O)O | | OpenEye OEToolkits 1.5.0 | C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
|
| Name: | OCTANE-1,3,5,7-TETRACARBOXYLIC ACID;
(3R,5R,7S)-OCTANE-1,3,5,7-TETRACARBOXYLIC ACID |
| DrugBank: | DB08368 |
| ZINC: | ZINC000016052584 |
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