BMFYB4DAa004
From Metabolomics.JP
(Difference between revisions)
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(3S)-Citryl-CoA | + | |SysName= (3S) -Citryl-CoA |
| − | |Common Name=&&(3S)-Citryl-CoA&& | + | |Common Name=&& (3S) -Citryl-CoA&& |
|CAS=52050-21-2 | |CAS=52050-21-2 | ||
|KEGG=C00566 | |KEGG=C00566 | ||
}} | }} | ||
Revision as of 09:00, 25 July 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 52050-21-2 |
| KEGG | C00566 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMFYB4DAa004.mol |
| (3S) -Citryl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3S) -Citryl-CoA |
| Common Name |
|
| Symbol | |
| Formula | C27H42N7O22P3S |
| Exact Mass | 941.1316 |
| Average Mass | 941.6436 |
| SMILES | C([C@H](C(NCCC(NCCSC(=O)C[C@](CC(O)=O)(C(O)=O)O)=O |
| 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 ⇔ S- [2- [3- [ [ (2R) -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] ethanethioate (2nd)
- this ⇔ 2-Oxo-butanedioic acid
- 2-Hydroxy-propane-1,2,3-tricarboxylic acid ⇔ this
- S- [2- [3- [ [ (2R) -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] ethanethioate ⇔ this
