CHEBI:71236 - feruloylacetyl-CoA

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ChEBI Name feruloylacetyl-CoA ChEBI ID CHEBI:71236 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of feruloylacetic 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 C33H46N7O20P3S Net Charge 0 Average Mass 985.74000 Monoisotopic Mass 985.17312 InChI InChI=1S/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t22-,26-,27-,28?,32-/m1/s1 InChIKey KBVPPTKWCRMUEW-IIZVUBDFSA-N SMILES COc1cc(C=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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 feruloylacetyl-CoA (CHEBI:71236) is a acyl-CoA (CHEBI:17984) feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of trans-feruloylacetyl-CoA(4−) (CHEBI:142389) feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of feruloylacetyl-CoA(4−) (CHEBI:71221) Incoming trans-feruloylacetyl-CoA (CHEBI:142396) is a feruloylacetyl-CoA (CHEBI:71236) trans-feruloylacetyl-CoA(4−) (CHEBI:142389) is conjugate base of feruloylacetyl-CoA (CHEBI:71236) feruloylacetyl-CoA(4−) (CHEBI:71221) is conjugate base of feruloylacetyl-CoA (CHEBI:71236) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources Feruloyl-diketide-CoA KEGG COMPOUND feruloyl-diketide-coenzyme A ChEBI feruloylacetyl-coenzyme A ChEBI Manual Xref Database C17741 KEGG COMPOUND View more database links Citation Type Source 19258320 PubMed citation Europe PMC Last Modified 04 October 2018