CHEBI:84554 - 3,5-dihydroxyphenylacetyl-CoA(4−)

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ChEBI Name 3,5-dihydroxyphenylacetyl-CoA(4−) ChEBI ID CHEBI:84554 ChEBI ASCII Name 3,5-dihydroxyphenylacetyl-CoA(4-) Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3,5-dihydroxyphenylacetyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C29H38N7O19P3S Net Charge -4 Average Mass 913.63600 Monoisotopic Mass 913.11780 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)/p-4/t18-,22-,23-,24+,28-/m1/s1 InChIKey MAFTTXQJASXWBB-CECATXLMSA-J 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 ChEBI Ontology Outgoing 3,5-dihydroxyphenylacetyl-CoA(4−) (CHEBI:84554) is a acyl-CoA(4−) (CHEBI:58342) 3,5-dihydroxyphenylacetyl-CoA(4−) (CHEBI:84554) is conjugate base of 3,5-dihydroxyphenylacetyl-CoA (CHEBI:31103) Incoming 3,5-dihydroxyphenylacetyl-CoA (CHEBI:31103) is conjugate acid of 3,5-dihydroxyphenylacetyl-CoA(4−) (CHEBI:84554) Synonyms Sources (3,5-dihydroxyphenyl)acetyl-CoA UniProt 3,5-dihydroxyphenylacetyl-coenzyme A(4−) ChEBI Manual Xref Database CPD-17515 MetaCyc View more database links Citation Type Source 11752437 PubMed citation SUBMITTER Last Modified 09 April 2015