| PDB CCD ID: | F24 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C18 H30 O5 |
| InChI: | InChI=1S/C18H30O5/c1-13(8-14(2)9-15(3)10-18(22)23)6-4-5-7-17(21)16(11-19)12-20/h9-11,13,16-17,20-21H,4-8,12H2,1-3H3,(H,22,23)/b14-9+,15-10?/t13-,16-,17-/m1/s1 |
| InChIKey: | CJCDMTWCUXKYGF-QPILVHKNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | C[CH](CCCC[CH](O)[CH](CO)C=O)CC(C)=CC(C)=CC(O)=O | | ACDLabs 12.01 | O=C(O)\C=C(\C=C(/C)CC(CCCCC(O)C(C=O)CO)C)C | | OpenEye OEToolkits 1.7.6 | C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C | | OpenEye OEToolkits 1.7.6 | CC(CCCCC(C(CO)C=O)O)CC(=CC(=CC(=O)O)C)C | | CACTVS 3.370 | C[C@H](CCCC[C@@H](O)[C@@H](CO)C=O)CC(/C)=C/C(C)=C/C(O)=O |
|
| Name: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid;
Antibiotic 1233A, Bound Form |
| DrugBank: | DB07740 |
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