CHEBI:15518 - caffeoyl-CoA

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ChEBI Name caffeoyl-CoA ChEBI ID CHEBI:15518 Definition An acyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of caffeic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3296, CHEBI:13930, CHEBI:22983 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 C30H42N7O19P3S Net Charge 0 Average Mass 929.67754 Monoisotopic Mass 929.14690 InChI InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t19-,23-,24-,25+,29-/m1/s1 InChIKey QHRGJMIMHCLHRG-FUEUKBNZSA-N SMILES [H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)c1ccc(O)c(O)c1 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 caffeoyl-CoA (CHEBI:15518) has functional parent caffeic acid (CHEBI:36281) caffeoyl-CoA (CHEBI:15518) is a acyl-CoA (CHEBI:17984) caffeoyl-CoA (CHEBI:15518) is conjugate acid of caffeoyl-CoA(4−) (CHEBI:57372) Incoming trans-caffeoyl-CoA (CHEBI:87449) is a caffeoyl-CoA (CHEBI:15518) caffeoyl-CoA(4−) (CHEBI:57372) is conjugate base of caffeoyl-CoA (CHEBI:15518) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonym Source Caffeoyl-CoA KEGG COMPOUND Manual Xrefs Databases C00007281 KNApSAcK C00323 KEGG COMPOUND View more database links Registry Numbers Types Sources 53034-79-0 CAS Registry Number ChemIDplus 7683288 Reaxys Registry Number Reaxys Last Modified 11 August 2015