BMMCACENk004
From Metabolomics.JP
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCAC aliphatic cycle 脂肪族環 (47 pages) : BMMCACEN cyclohexene シクロヘキセン (7 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 2922-42-1 |
| KEGG | C02652 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACENk004.mol |
| 5-Dehydroshikimate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (4S,5R) -5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid |
| Common Name |
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| Symbol | |
| Formula | C7H8O5 |
| Exact Mass | 172.0371 |
| Average Mass | 172.1354 |
| SMILES | OC(=O)C(=C1)CC(=O)[C@H](O)[C@H](O)1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
