BMMCBZ3Sa045
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|SysName=Caffeoyl-CoA | |SysName=Caffeoyl-CoA | ||
Latest revision as of 09:00, 1 October 2008
| 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 : BMMCBZ3S with 3 substitutions (61 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 53034-79-0 |
| KEGG | C00323 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ3Sa045.mol |
| Caffeoyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Caffeoyl-CoA |
| Common Name |
|
| Symbol | |
| Formula | C30H42N7O19P3S |
| Exact Mass | 929.1469 |
| Average Mass | 929.6775 |
| SMILES | C(C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(OP(OC[C@H] |
| 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
- CoA ⇔ this
- this ⇔ (1S,3R,4R,5R) -3- [ (E) -3- (3,4-dihydroxyphenyl) prop-2-enoyl] oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
- this ⇔ 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] (E) -3- (4-hydroxy-3-methoxyphenyl) prop-2-enethioic acid
- trans-3- (3,4-Dihydroxyphenyl) prop-2-enoic acid ⇔ this
- 4-Dihydroxy-cinnamaldehyde ⇔ this
