CHEBI:28557 - cyclohexane-1-carbonyl-CoA

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ChEBI Name cyclohexane-1-carbonyl-CoA ChEBI ID CHEBI:28557 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexane-1-carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:23474, CHEBI:4011 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 C28H46N7O17P3S Net Charge 0 Average Mass 877.68910 Monoisotopic Mass 877.18838 InChI InChI=1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 InChIKey QRSKGVRHSLILFG-TYHXJLICSA-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)C1CCCCC1 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 cyclohexane-1-carbonyl-CoA (CHEBI:28557) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) cyclohexane-1-carbonyl-CoA (CHEBI:28557) is a acyl-CoA (CHEBI:17984) cyclohexane-1-carbonyl-CoA (CHEBI:28557) is conjugate acid of cyclohexane-1-carbonyl-CoA(4−) (CHEBI:76271) Incoming 2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA (CHEBI:29473) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA (CHEBI:28011) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 2-hydroxycyclohexane-1-carbonyl-CoA (CHEBI:28169) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 2-oxocyclohexane-1-carbonyl-CoA (CHEBI:27664) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) 4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA (CHEBI:29489) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) cyclohexane-1-carbonyl-CoA(4−) (CHEBI:76271) is conjugate base of cyclohexane-1-carbonyl-CoA (CHEBI:28557) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources Coenzyme A, S-cyclohexanecarboxylate ChemIDplus cyclohexane-1-carbonyl-coenzyme A ChEBI Cyclohexane-1-carboxyl-CoA KEGG COMPOUND cyclohexane-1-carboxyl-coenzyme A ChEBI Cyclohexanecarboxyl-coa ChemIDplus Cyclohexanecarboxyl-coenzyme A ChemIDplus Manual Xrefs Databases C09823 KEGG COMPOUND CPD-577 MetaCyc View more database links Registry Numbers Types Sources 20380499 Reaxys Registry Number Reaxys 5960-12-3 CAS Registry Number ChemIDplus Citations Types Sources 20345662 PubMed citation Europe PMC 4047029 PubMed citation Europe PMC 5690179 PubMed citation Europe PMC 679070 PubMed citation Europe PMC Last Modified 04 August 2014