CHEBI:28168 - 6-oxocyclohex-1-ene-1-carbonyl-CoA

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ChEBI Name 6-oxocyclohex-1-ene-1-carbonyl-CoA
ChEBI ID CHEBI:28168
Definition A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 6-oxocyclohex-1-ene-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2206, CHEBI:20737
Supplier Information
Download Molfile XML SDF
Formula C28H42N7O18P3S
Net Charge 0
Average Mass 889.65674
Monoisotopic Mass 889.15199
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)/t17-,20-,21-,22+,26-/m1/s1
InChIKey QFOMSXVUILWRSA-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=O
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 6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168) has functional parent coenzyme A (CHEBI:15346)
6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168) is conjugate acid of 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76526)
Incoming 6-oxocyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76526) is conjugate base of 6-oxocyclohex-1-ene-1-carbonyl-CoA (CHEBI:28168)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
6-ketocyclohex-1-ene-1-carbonyl-coenzyme A ChEBI
6-Ketoxycyclohex-1-ene-1-carboxyl-CoA KEGG COMPOUND
6-oxocyclohex-1-ene-1-carbonyl-coenzyme A ChEBI
Manual Xref Database
C09821 KEGG COMPOUND
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Last Modified
04 August 2014