CHEBI:14261 - feruloyl-CoA

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ChEBI Name feruloyl-CoA ChEBI ID CHEBI:14261 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of ferulic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB4123741, eMolecules:496137, ZINC000003995568 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H44N7O19P3S Net Charge 0 Average Mass 943.70412 Monoisotopic Mass 943.16255 InChI InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1 InChIKey GBXZVJQQDAJGSO-HSJNEKGZSA-N SMILES COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)ccc1O 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 feruloyl-CoA (CHEBI:14261) has functional parent trans-ferulic acid (CHEBI:17620) feruloyl-CoA (CHEBI:14261) has functional parent coenzyme A (CHEBI:15346) feruloyl-CoA (CHEBI:14261) is a acyl-CoA (CHEBI:17984) feruloyl-CoA (CHEBI:14261) is conjugate acid of feruloyl-CoA(4−) (CHEBI:57276) Incoming trans-feruloyl-CoA (CHEBI:15511) is a feruloyl-CoA (CHEBI:14261) feruloyl-CoA(4−) (CHEBI:57276) is conjugate base of feruloyl-CoA (CHEBI:14261) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 4-hydroxy-3-methoxycinnamoyl-CoA ChEBI 4-hydroxy-3-methoxycinnamoyl-coenzyme A ChEBI feruloyl-coenzyme A ChEBI Registry Number Type Source 7683383 Reaxys Registry Number Reaxys Citations Types Sources 11038271 PubMed citation Europe PMC 19258320 PubMed citation Europe PMC Last Modified 11 August 2011