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 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 coenzyme A (CHEBI:15346) feruloyl-CoA (CHEBI:14261) has functional parent ferulic acid (CHEBI:17620) 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