CHEBI:76270 - cyclohex-1-ene-1-carbonyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyclohex-1-ene-1-carbonyl-CoA(4−)
ChEBI ID CHEBI:76270
ChEBI ASCII Name cyclohex-1-ene-1-carbonyl-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of cyclohex-1-ene-1-carbonyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C28H40N7O17P3S
Net Charge -4
Average Mass 871.64000
Monoisotopic Mass 871.14362
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)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKey YTTZSBMCHSFQSJ-TYHXJLICSA-J
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
ChEBI Ontology
Outgoing cyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76270) is a acyl-CoA(4−) (CHEBI:58342)
cyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76270) is conjugate base of cyclohex-1-ene-1-carbonyl-CoA (CHEBI:28005)
Incoming cyclohex-1-ene-1-carbonyl-CoA (CHEBI:28005) is conjugate acid of cyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:76270)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
cyclohex-1-ene-1-carbonyl-CoA UniProt
cyclohex-1-ene-1-carbonyl-coenzyme A(4−) ChEBI
cyclohex-1-ene-1-formyl-CoA(4−) ChEBI
cyclohex-1-ene-1-formyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-533 MetaCyc
View more database links
Citation Waiting for Citations Type Source
23667239 PubMed citation SUBMITTER
Last Modified
18 November 2013