benzoylacetyl-coa
| Name(s) | benzoylacetyl-coa |
|---|---|
| Scientific name(s) | benzoylacetyl-coenzyme a; 3-oxo-3-phenylpropionyl-coa; 3-oxo-3-phenylpropionyl-coenzyme a; 3-oxo-3-phenylpropanoyl-coa; 3'-phosphoadenosine 5'-{3-[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxo-3-phenylpropanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}; benzoyl acetyl-coa; (acyl-coa); [m+h]+; benzoylacetyl coenzyme a |
| Formula | C30H42N7O18P3S |
| Molecular mass | 913.7 |
| IUPAC name | 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] 3-oxo-3-phenylpropanethioate |
| INCHI | InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-7,15-16,19,23-25,29,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1 |
| SMILE | Not available |
| CAS ID | Not available |
| PubChem ID | 9543204 |
| DrugBank ID | Not available |
| CHEBI ID | Not available |
| Description | Not available |
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