F24
Summary
| Name: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid |
| Synonyms: | Antibiotic 1233A, Bound Form |
| Formula: | C18 H30 O5 |
| Formal charge: | 0 |
| Formula weight: | 326.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid |
| OpenEye OEToolkits | 1.7.6 | (7R,12R,13R)-13-(hydroxymethyl)-3,5,7-trimethyl-12-oxidanyl-14-oxidanylidene-tetradeca-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C(\C=C(/C)CC(CCCCC(O)C(C=O)CO)C)C |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | CJCDMTWCUXKYGF-QPILVHKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CCCC[C@@H](O)[C@@H](CO)C=O)CC(/C)=C/C(C)=C/C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](CCCC[CH](O)[CH](CO)C=O)CC(C)=CC(C)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCCCC(C(CO)C=O)O)CC(=CC(=CC(=O)O)C)C |
