CHEBI:31103 - 3,5-dihydroxyphenylacetyl-CoA

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ChEBI Name 3,5-dihydroxyphenylacetyl-CoA ChEBI ID CHEBI:31103 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,5-dihydroxyphenylacetic 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 C29H42N7O19P3S Net Charge 0 Average Mass 917.66600 Monoisotopic Mass 917.14690 InChI InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t18-,22-,23-,24+,28-/m1/s1 InChIKey MAFTTXQJASXWBB-CECATXLMSA-N SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(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 3,5-dihydroxyphenylacetyl-CoA (CHEBI:31103) is a acyl-CoA (CHEBI:17984) 3,5-dihydroxyphenylacetyl-CoA (CHEBI:31103) is conjugate acid of 3,5-dihydroxyphenylacetyl-CoA(4−) (CHEBI:84554) Incoming 3,5-dihydroxyphenylacetyl-CoA(4−) (CHEBI:84554) is conjugate base of 3,5-dihydroxyphenylacetyl-CoA (CHEBI:31103) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,5-dihydroxyphenyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Manual Xref Database C12324 KEGG COMPOUND View more database links Last Modified 09 April 2015