BMMCBZ2PS661
From Metabolomics.JP
(Difference between revisions)
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{{Metabolite | {{Metabolite | ||
| − | |SysName=( | + | |SysName=(2S) -2- (4-Hydroxyphenyl) -2- [(2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl] oxyacetonitrile |
|Common Name=&&(S) -4-Hydroxy-mandelo-nitrile D-glucoside&& | |Common Name=&&(S) -4-Hydroxy-mandelo-nitrile D-glucoside&& | ||
| − | |CAS= | + | |CAS=499-20-7 |
|KEGG=C05143 | |KEGG=C05143 | ||
}} | }} | ||
Latest revision as of 16:05, 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 | 499-20-7 |
| KEGG | C05143 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2PS661.mol |
| (S) -4-Hydroxy-mandelo-nitrile D-glucoside | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2S) -2- (4-Hydroxyphenyl) -2- [(2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl] oxyacetonitrile |
| Common Name |
|
| Symbol | |
| Formula | C14H17NO7 |
| Exact Mass | 311.100501903 |
| Average Mass | 311.28732 |
| SMILES | N#C[C@@H](OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO |
| 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
