CHEBI:28005 - cyclohex-1-ene-1-carbonyl-CoA

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ChEBI Name cyclohex-1-ene-1-carbonyl-CoA ChEBI ID CHEBI:28005 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohex-1-ene-1-carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:4005, CHEBI:23461 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 C28H44N7O17P3S Net Charge 0 Average Mass 875.67322 Monoisotopic Mass 875.17273 InChI InChI=1S/C28H44N7O17P3S/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/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(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 YTTZSBMCHSFQSJ-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)C1=CCCCC1 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 cyclohex-1-ene-1-carbonyl-CoA (CHEBI:28005) is a acyl-CoA (CHEBI:17984) cyclohex-1-ene-1-carbonyl-CoA (CHEBI:28005) is conjugate acid of cyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76270) Incoming cyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76270) is conjugate base of cyclohex-1-ene-1-carbonyl-CoA (CHEBI:28005) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources Cyclohex-1-ene-1-carbonyl-CoA UM-BBD cyclohex-1-ene-1-carbonyl-coenzyme A ChEBI Cyclohex-1-ene-1-carboxyl-CoA KEGG COMPOUND Cyclohex-1-ene-1-formyl-coenzyme A ChEBI Cyclohex-1-enecarbonyl-CoA UM-BBD Cyclohex-1-enecarboxyl-CoA UM-BBD Manual Xrefs Databases c0215 UM-BBD C09811 KEGG COMPOUND CPD-533 MetaCyc View more database links Registry Number Type Source 20597765 Reaxys Registry Number Reaxys Citation Type Source 23667239 PubMed citation Europe PMC Last Modified 04 August 2014