6OB
Summary
| Name: | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid |
| Formula: | C18 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 310.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (8E,10S,12Z)-10-hydroxy-6-oxo-octadeca-8,12-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCC(=O)C/C=C/C(O)C\C=C/CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC\C=C/C[C@H](O)\C=C\CC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC=CC[CH](O)C=CCC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC=CCC(C=CCC(=O)CCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H30O4/c1-2-3-4-5-6-7-11-16(19)13-10-14-17(20)12-8-9-15-18(21)22/h6-7,10,13,16,19H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10+/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | OJFOOCZBVPQYRS-PSDPTOBYSA-N |
