CHEBI:87996 - 3-(m-hydroxyphenyl)propanoyl-CoA

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ChEBI Name 3-(m-hydroxyphenyl)propanoyl-CoA ChEBI ID CHEBI:87996 ChEBI ASCII Name 3-(m-hydroxyphenyl)propanoyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(3-hydroxyphenyl)propanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H44N7O18P3S Net Charge 0 Average Mass 915.695 Monoisotopic Mass 915.16764 InChI InChI=1S/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)7-6-17-4-3-5-18(38)12-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-5,12,15-16,19,23-25,29,38,41-42H,6-11,13-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1 InChIKey CSPSLSQSVDSPEN-FUEUKBNZSA-N SMILES [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCC4=CC(=CC=C4)O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O 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-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) has functional parent 3-(3-hydroxyphenyl)propanoic acid (CHEBI:1427) 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) is a acyl-CoA (CHEBI:17984) 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) is conjugate acid of 3-(m-hydroxyphenyl)propanoyl-CoA(4−) (CHEBI:87803) Incoming 3-(m-hydroxyphenyl)propanoyl-CoA(4−) (CHEBI:87803) is conjugate base of 3-(m-hydroxyphenyl)propanoyl-CoA (CHEBI:87996) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(3-hydroxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-(3-hydroxyphenyl)propanoyl-coenzyme A ChEBI 3-(3-hydroxyphenyl)propionyl-CoA ChEBI 3-(3-hydroxyphenyl)propionyl-coenzyme A ChEBI 3-(m-hydroxyphenyl)propanoyl-coenzyme A ChEBI 3-(m-hydroxyphenyl)propionyl-CoA ChEBI 3-(m-hydroxyphenyl)propionyl-coenzyme A ChEBI Last Modified 23 September 2015