BMMCBZ2Pd045
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-trienoic acid | + | |SysName=6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta- (2E,4E,7E) -trienoic acid |
|Common Name=&&6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-&&trienoate&&6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-trienoic acid&& | |Common Name=&&6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-&&trienoate&&6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-trienoic acid&& | ||
| − | |CAS= | + | |CAS=209783-08-4 |
|KEGG=C06645 | |KEGG=C06645 | ||
}} | }} | ||
Latest revision as of 15:58, 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 : BMMCBZ2P with 2 substitutions (para) (64 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 209783-08-4 |
| KEGG | C06645 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pd045.mol |
| 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E- | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta- (2E,4E,7E) -trienoic acid |
| Common Name |
|
| Symbol | |
| Formula | C14H8Cl4O4 |
| Exact Mass | 379.9176 |
| Average Mass | 382.0217 |
| SMILES | OC(=O)C(O)=C(Cl)C=CC(=O)C(=C(Cl)Cl)c(c1)ccc(Cl)c1 |
| 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
- 3-Chloro-6- [2,2-dichloro-1- (4-chlorophenyl) ethenyl] benzene-1,2-diol ⇔ this
- this ⇔ 2-Hydroxy-3-chloro-penta-2,4-dienoic acid
- this ⇔ 3,3-Dichloro-2- (4-chlorophenyl) prop-2-enoic acid
