CHEBI:52668 - 1,4-dihydroxy-2-naphthoyl-CoA

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ChEBI Name 1,4-dihydroxy-2-naphthoyl-CoA ChEBI ID CHEBI:52668 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 1,4-dihydroxy-2-naphthoic acid. 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 C32H42N7O19P3S Net Charge 0 Average Mass 953.69800 Monoisotopic Mass 953.14690 InChI InChI=1S/C32H42N7O19P3S/c1-32(2,26(44)29(45)35-8-7-21(41)34-9-10-62-31(46)18-11-19(40)16-5-3-4-6-17(16)23(18)42)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(43)30(56-20)39-15-38-22-27(33)36-14-37-28(22)39/h3-6,11,14-15,20,24-26,30,40,42-44H,7-10,12-13H2,1-2H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,24-,25-,26+,30-/m1/s1 InChIKey PYTINLGPKDJURZ-HSJNEKGZSA-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)c1cc(O)c2ccccc2c1O Metabolite of Species Details Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) has functional parent 1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) has role Escherichia coli metabolite (CHEBI:76971) 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) is a acyl-CoA (CHEBI:17984) 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) is a naphthohydroquinone (CHEBI:51475) 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) is conjugate acid of 1,4-dihydroxy-2-naphthoyl-CoA(4−) (CHEBI:58897) Incoming 1,4-dihydroxy-2-naphthoyl-CoA(4−) (CHEBI:58897) is conjugate base of 1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(1,4-dihydroxy-2-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 1,4-Dihydroxy-2-naphthoyl-CoA KEGG COMPOUND 1,4-dihydroxy-2-naphthoyl-coenzyme A ChEBI DHNA-CoA SUBMITTER Manual Xref Database C15547 KEGG COMPOUND View more database links Citations Types Sources 19321747 PubMed citation Europe PMC 20643650 PubMed citation Europe PMC Last Modified 13 October 2016