CHEBI:71290 - 3-hydroxy-3-phenylpropionyl-CoA

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ChEBI Name 3-hydroxy-3-phenylpropionyl-CoA ChEBI ID CHEBI:71290 Definition A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxy-3-phenylpropionic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H44N7O18P3S Net Charge 0 Average Mass 915.69300 Monoisotopic Mass 915.16764 InChI InChI=1S/C30H44N7O18P3S/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/h3-7,15-16,18-19,23-25,29,38,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18?,19-,23-,24-,25+,29-/m1/s1 InChIKey AAZZVFONLHYNDZ-NVQRUNIKSA-N SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccccc1 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-hydroxy-3-phenylpropionyl-CoA (CHEBI:71290) has functional parent 3-hydroxy-3-phenylpropionic acid (CHEBI:19929) 3-hydroxy-3-phenylpropionyl-CoA (CHEBI:71290) is a 3-hydroxyacyl-CoA (CHEBI:65260) 3-hydroxy-3-phenylpropionyl-CoA (CHEBI:71290) is conjugate base of 3-hydroxy-3-phenylpropionyl-CoA(4−) (CHEBI:71294) Incoming 3-hydroxy-3-phenylpropionyl-CoA(4−) (CHEBI:71294) is conjugate acid of 3-hydroxy-3-phenylpropionyl-CoA (CHEBI:71290) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-phenylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-hydroxy-3-phenylpropanoyl-CoA ChEBI 3-hydroxy-3-phenylpropanoyl-coenzyme A ChEBI 3-hydroxy-3-phenylpropionyl-coenzyme A ChEBI β-hydroxyphenylpropanoyl-CoA ChEBI β-hydroxyphenylpropanoyl-coenzyme A ChEBI β-hydroxyphenylpropionyl-CoA MetaCyc β-hydroxyphenylpropionyl-coenzyme A ChEBI Manual Xref Database CPD-513 MetaCyc View more database links Last Modified 30 November 2012