BMMCBZ2Ok001
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName= ( | + | |SysName= 2- [(E) -4-Hydroxy-3,4-dioxobut-1-enyl] benzoic acid |
| − | |Common Name=&& (3E) -4- (2-Carboxyphenyl) -2-oxobut-3-enoate&&trans-2'-Carboxybenzalpyruvate&& | + | |Common Name=&& (3E) -4- (2-Carboxyphenyl) -2-oxobut-3-enoate&&trans-2'-Carboxybenzalpyruvate&& (3E) -4- (2-Carboxy-phenyl) -2-oxobut-3-enoic acid&& |
| − | |CAS= | + | |CAS=85896-59-9 |
|KEGG=C01275 | |KEGG=C01275 | ||
}} | }} | ||
Latest revision as of 15:49, 17 June 2010
| 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 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2O 2 substitutions (ortho) (38 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 85896-59-9 |
| KEGG | C01275 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Ok001.mol |
| (3E) -4- (2-Carboxyphenyl) -2-oxobut-3-enoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2- [(E) -4-Hydroxy-3,4-dioxobut-1-enyl] benzoic acid |
| Common Name |
|
| Symbol | |
| Formula | C11H8O5 |
| Exact Mass | 220.0371 |
| Average Mass | 220.1782 |
| SMILES | OC(=O)C(=O)C=Cc(c1)c(ccc1)C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
