BMMCACDEk007
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) : BMMCACDE cyclohexadiene シクロヘキサジエン (11 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 958732-95-1 |
| KEGG | C11456 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACDEk007.mol |
| cis-3- (1-Carboxy-ethyl) -3,5-cyclo-hexadiene-1,2-diol | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2- [(5S,6R) -5,6-Dihydroxycyclohexa-1,3-dien-1-yl] propanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C9H12O4 |
| Exact Mass | 184.0735 |
| Average Mass | 184.1891 |
| SMILES | OC(=O)C(C)C(=C1)C(O)C(O)C=C1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
