CHEBI:28576 - 2,6-dihydroxycyclohexane-1-carbonyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-dihydroxycyclohexane-1-carbonyl-CoA
ChEBI ID CHEBI:28576
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,6-dihydroxycyclohexane-1-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:951, CHEBI:19399
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H46N7O19P3S
Net Charge 0
Average Mass 909.68790
Monoisotopic Mass 909.17820
InChI InChI=1S/C28H46N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-16,18,20-22,26,36-37,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,15?,16-,18?,20-,21-,22+,26-/m1/s1
InChIKey IDVOAQDDLQQSLO-CXCAYBSSSA-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)C1C(O)CCCC1O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557)
2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) has role mouse metabolite (CHEBI:75771)
2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) is a hydroxyacyl-CoA (CHEBI:62618)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,6-dihydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
2,6-dihydroxycyclohexane-1-carbonyl-coenzyme A ChEBI
2,6-Dihydroxycyclohexane-1-carboxyl-CoA KEGG COMPOUND
Manual Xrefs Databases
c0231 UM-BBD
C09824 KEGG COMPOUND
View more database links
Last Modified
27 January 2016