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CHEBI:18206 - 2-amino-5-oxocyclohex-1-enecarbonyl-CoA

ChEBI IDCHEBI:18206
ChEBI Name2-amino-5-oxocyclohex-1-enecarbonyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-amino-5-oxocyclohex-1-enecarboxylic acid.
Secondary ChEBI IDsCHEBI:1009, CHEBI:11516, CHEBI:19464
Last Modified3 August 2014
DownloadsMolfile
FormulaC28H43N8O18P3S
Net Charge0
Average Mass904.679
Monoisotopic Mass904.16289
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=C(N)CCC(=O)C1
InChIInChI=1S/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12-34-24(19)36/h12-13,17,20-22,26,39-40H,3-11,29H2,1-2H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,20-,21-,22+,26-/m1/s1
InChIKeyCNGNJOBQFRZLRY-TYHXJLICSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206) has functional parent coenzyme A (CHEBI:15346)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206) is a acyl-CoA (CHEBI:17984)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206) is conjugate acid of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−) (CHEBI:58410)
Incoming Relation(s)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−) (CHEBI:58410) is conjugate base of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-Amino-5-oxocyclohex-1-enecarbonyl-CoAKEGG COMPOUND
2-Amino-5-oxo-cyclohex-1-enecarboxy-CoAKEGG COMPOUND
2-amino-5-oxocyclohex-1-enecarbonyl-CoAChEBI
2-amino-5-oxo-cyclohex-1-enecarboxy-CoAChEBI
2-amino-5-oxocyclohex-1-enecarbonyl-coenzyme AChEBI
2-amino-5-oxo-cyclohex-1-enecarboxy-coenzyme AChEBI
Manual XrefsDatabases
C05165KEGG COMPOUND
c0549UM-BBD