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CHEBI:15453 - (S)-3-hydroxybutanoyl-CoA
| Formula | C25H42N7O18P3S |
| Net Charge | 0 |
| Average Mass | 853.631 |
| Monoisotopic Mass | 853.15199 |
| SMILES | C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
| InChI | InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 |
| InChIKey | QHHKKMYHDBRONY-VKBDFPRVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| ChEBI Ontology |
|---|
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (S)-3-Hydroxybutanoyl-CoA | KEGG COMPOUND |
| (S)-3-Hydroxybutyryl-CoA | KEGG COMPOUND |
| (3S)-3-hydroxybutanoyl-CoA | UM-BBD |
| (S)-3-hydroxybutyroyl-CoA | UM-BBD |
| L(+)-3-hydroxybutyroyl-CoA | UM-BBD |
| L(+)-beta-hydroxybutyroyl-CoA | UM-BBD |