CHEBI:31136 - 5-hydroxyferuloyl-CoA

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ChEBI Name 5-hydroxyferuloyl-CoA ChEBI ID CHEBI:31136 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5-hydroxyferulic 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 C31H44N7O20P3S Net Charge 0 Average Mass 959.70200 Monoisotopic Mass 959.15747 InChI InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t19-,24-,25-,26+,30-/m1/s1 InChIKey ILSPFIPSQSFPCN-PVMJKYSESA-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)cc(O)c1O 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 5-hydroxyferuloyl-CoA (CHEBI:31136) has functional parent 5-hydroxyferulic acid (CHEBI:20582) 5-hydroxyferuloyl-CoA (CHEBI:31136) is a acyl-CoA (CHEBI:17984) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3,4-dihydroxy-5-methoxycinnamoyl-CoA ChEBI 5-Hydroxyferuloyl-CoA KEGG COMPOUND 5-hydroxyferuloyl-coenzyme A ChemIDplus coenzyme A, S-(3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoate) ChemIDplus S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-CoA ChEBI S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-coenzyme A ChEBI S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-CoA ChEBI S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-coenzyme A ChEBI Manual Xrefs Databases C00007361 KNApSAcK C12203 KEGG COMPOUND FRE PDBeChem View more database links Registry Numbers Types Sources 59862-14-5 CAS Registry Number ChemIDplus 7683506 Reaxys Registry Number Reaxys Citations Types Sources 10482677 PubMed citation Europe PMC 16099486 PubMed citation Europe PMC 16153410 PubMed citation Europe PMC 17976886 PubMed citation Europe PMC 7994176 PubMed citation Europe PMC Last Modified 04 August 2014