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Information card for entry 7155274
Preview
| Coordinates | 7155274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl |
|---|---|
| Formula | C33 H56 O5 |
| Calculated formula | C33 H56 O5 |
| SMILES | C[C@@H](C(=O)[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)CCCC=C)OC(=O)c1ccccc1.CO |
| Title of publication | Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle. |
| Authors of publication | van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 39 |
| Pages of publication | 9267 - 9277 |
| a | 12.8359 ± 0.0008 Å |
| b | 4.9611 ± 0.0002 Å |
| c | 26.202 ± 0.0019 Å |
| α | 90° |
| β | 97.21 ± 0.006° |
| γ | 90° |
| Cell volume | 1655.35 ± 0.17 Å3 |
| Cell temperature | 130 ± 0.2 K |
| Ambient diffraction temperature | 130 ± 0.2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155274.cif |
| 188279 | 2016-11-08 | cif/ Updating files of 7155274 Original log message: Adding full bibliography for 7155274.cif. |
7155274.cif |
| 187183 | 2016-10-08 | cif/ Updating files of 7155274 Original log message: Adding full bibliography for 7155274.cif. |
7155274.cif |
| 186227 | 2016-09-07 | cif/ Adding structures of 7155274 via cif-deposit CGI script. |
7155274.cif |
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Users of the data should acknowledge the original authors of the
structural data.