CHEBI:27664 - 2-oxocyclohexane-1-carbonyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-oxocyclohexane-1-carbonyl-CoA
ChEBI ID CHEBI:27664
Definition A 3-oxoacyl-CoA having its S-acyl component derived from 2-oxocyclohexane-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1181, CHEBI:19670
Supplier Information
Download Molfile XML SDF
Formula C28H44N7O18P3S
Net Charge 0
Average Mass 891.67262
Monoisotopic Mass 891.16764
InChI InChI=1S/C28H44N7O18P3S/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/h13-15,17,20-22,26,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,17-,20-,21-,22+,26-/m1/s1
InChIKey BGLNPJARTQOCKR-OXXAVVHVSA-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=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 2-oxocyclohexane-1-carbonyl-CoA (CHEBI:27664) has functional parent 2-oxocyclohexanecarboxylic acid (CHEBI:37375)
2-oxocyclohexane-1-carbonyl-CoA (CHEBI:27664) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557)
2-oxocyclohexane-1-carbonyl-CoA (CHEBI:27664) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxocyclohexane-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
2-Ketocyclohexane-1-carbonyl-CoA UM-BBD
2-ketocyclohexane-1-carbonyl-coenzyme A ChEBI
2-Ketocyclohexane-1-carboxyl-CoA KEGG COMPOUND
2-ketocyclohexanecarbonyl-CoA UM-BBD
2-ketocyclohexanecarboxyl-CoA UM-BBD
2-Oxocyclohexane-1-carbonyl-CoA KEGG COMPOUND
2-oxocyclohexane-1-carbonyl-coenzyme A ChEBI
2-oxocyclohexane-1-carboxyl-CoA UM-BBD
2-oxocyclohexanecarbonyl-CoA UM-BBD
2-oxocyclohexanecarboxyl-CoA UM-BBD
2-oxocyclohexanecarboxyl-coenzyme A ChEBI
Manual Xrefs Databases
c0217 UM-BBD
C09813 KEGG COMPOUND
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Last Modified
04 August 2014