CHEBI:76526 - 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−)

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ChEBI Name 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) ChEBI ID CHEBI:76526 ChEBI ASCII Name 6-oxocyclohex-1-ene-1-carbonyl-CoA(4-) Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 6-oxocyclohex-1-ene-1-carbonyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C28H38N7O18P3S Net Charge -4 Average Mass 885.62400 Monoisotopic Mass 885.12288 InChI InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1 InChIKey QFOMSXVUILWRSA-TYHXJLICSA-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)C1=CCCCC1=O ChEBI Ontology Outgoing 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76526) is a acyl-CoA(4−) (CHEBI:58342) 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76526) is conjugate base of 6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168) Incoming 6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168) is conjugate acid of 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76526) Synonym Source 6-oxocyclohex-1-ene-1-carbonyl-CoA UniProt Manual Xref Database 6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA MetaCyc View more database links Citation Type Source 10406950 PubMed citation SUBMITTER Last Modified 08 January 2014