BMMCACCHa008
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 : BMMCAC aliphatic cycle 脂肪族環 (47 pages) : BMMCACCH cyclohexane シクロヘキサン (22 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 156007-01-1 |
| KEGG | C09813 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCACCHa008.mol |
| 2-Ketocyclohexane-1-carboxyl-CoA | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 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] 2-oxocyclohexane-1-carbothioic acid |
| Common Name |
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| Symbol | |
| Formula | C28H44N7O18P3S |
| Exact Mass | 891.1676 |
| Average Mass | 891.6726 |
| SMILES | O=C(SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@ |
| Physicochemical Information | |
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| Spectral Information | |
| Mass Spectra | |
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Related Atomic Mappings, Enzymes, and Pathways
