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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-5-oxocyclohex-1-enecarbonyl-CoA
ChEBI ID CHEBI:18206
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11516, CHEBI:1009, CHEBI:19464
Supplier Information
Download Molfile XML SDF
Formula C28H43N8O18P3S
Net Charge 0
Average Mass 904.67142
Monoisotopic Mass 904.16289
InChI InChI=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
InChIKey CNGNJOBQFRZLRY-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=C(N)CCC(=O)C1
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-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 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 Sources
2-amino-5-oxo-cyclohex-1-enecarboxy-CoA ChEBI
2-Amino-5-oxo-cyclohex-1-enecarboxy-CoA KEGG COMPOUND
2-amino-5-oxo-cyclohex-1-enecarboxy-coenzyme A ChEBI
2-amino-5-oxocyclohex-1-enecarbonyl-CoA ChEBI
2-Amino-5-oxocyclohex-1-enecarbonyl-CoA KEGG COMPOUND
2-amino-5-oxocyclohex-1-enecarbonyl-coenzyme A ChEBI
Manual Xrefs Databases
C05165 KEGG COMPOUND
c0549 UM-BBD
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Last Modified
04 August 2014