CHEBI:88147 - 2,5-dihydroxybenzoyl-CoA(4−)

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ChEBI Name 2,5-dihydroxybenzoyl-CoA(4−) ChEBI ID CHEBI:88147 ChEBI ASCII Name 2,5-dihydroxybenzoyl-CoA(4-) Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,5-dihydroxybenzoyl-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 C28H36N7O19P3S Net Charge -4 Average Mass 899.609 Monoisotopic Mass 899.10215 InChI InChI=1S/C28H40N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)15-9-14(36)3-4-16(15)37)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-4/t17-,20-,21-,22+,26-/m1/s1 InChIKey JWFTZSFRBMKSNJ-TYHXJLICSA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC(=CC=C4O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 2,5-dihydroxybenzoyl-CoA(4−) (CHEBI:88147) is a acyl-CoA(4−) (CHEBI:58342) 2,5-dihydroxybenzoyl-CoA(4−) (CHEBI:88147) is conjugate base of 2,5-dihydroxybenzoyl-CoA (CHEBI:90176) Incoming 2,5-dihydroxybenzoyl-CoA (CHEBI:90176) is conjugate acid of 2,5-dihydroxybenzoyl-CoA(4−) (CHEBI:88147) Synonyms Sources 2,5-dihydroxybenzoyl-CoA UniProt gentisyl-CoA(4−) SUBMITTER Manual Xref Database CPD-12703 MetaCyc View more database links Citation Type Source 15006746 PubMed citation SUBMITTER Last Modified 03 November 2015