BMMCBZ1Sa023
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 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ1S 0-1 substitution (53 pages)
IDs and Links | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 254992-57-9 |
KEGG | C09817 |
KNApSAcK | |
CDX file | |
MOL file | BMMCBZ1Sa023.mol |
Benzylsuccinyl-CoA | |
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Structural Information | |
Systematic Name | (3R) -4- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -4-oxo-3- (phenylmethyl) butanoic acid |
Common Name |
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Symbol | |
Formula | C32H46N7O19P3S |
Exact Mass | 957.1782 |
Average Mass | 957.7307 |
SMILES | C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]( |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
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Chromatograms |
Related Atomic Mappings, Enzymes, and Pathways