BMMCBZ1Sa017
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(Redirected from CAS:6756-74-7)
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 | 6756-74-7 |
KEGG | C00512 |
KNApSAcK | |
CDX file | |
MOL file | BMMCBZ1Sa017.mol |
S-Benzoate coenzyme A | |
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Structural Information | |
Systematic Name | Benzoyl-CoA |
Common Name |
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Symbol | |
Formula | C28H40N7O17P3S |
Exact Mass | 871.1414 |
Average Mass | 871.6414 |
SMILES | C(C([C@@H](C(=O)NCCC(NCCSC(c(c4)cccc4)=O)=O)O)(C)C |
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
- S- [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] ethyl] 3-oxo-3-phenylpropanethioic acid ⇔ this
- this ⇔ 2- (Benzoylamino) acetic acid
- this ⇔ CoA
- this ⇔ 4-Hydroxy-benzoyl-CoA
- Benzoic acid ⇔ this