BMMCACDEk005
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 | 55508-12-8 |
| KEGG | C00251 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACDEk005.mol |
| Chorismate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Chorismic acid |
| Common Name |
|
| Symbol | |
| Formula | C10H10O6 |
| Exact Mass | 226.0477 |
| Average Mass | 226.1828 |
| SMILES | OC(=O)C(=C)O[C@H](C=1)[C@H](O)C=CC(C(O)=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
- this ⇔ 2-Oxo-propanoic acid
- this ⇔ Isochorismic acid
- this ⇔ 4-Hydroxy-1- (3-hydroxy-2,3-dioxopropyl) cyclohexa-2,5-diene-1-carboxylic acid
- this ⇔ 2-Aminobenzoic acid
- this ⇔ 4-Hydroxybenzoic acid
- this ⇔ 4-Amino-4-deoxy-chorismic acid
- (3R,4S,5R) -4-Hydroxy-5- (3-hydroxy-3-oxoprop-1-en-2-yl) oxy-3-phosphonooxycyclohexene-1-carboxylic acid ⇔ this
