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CHEBI:58410 - 2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−)

ChEBI IDCHEBI:58410
ChEBI Name2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−)
Stars
ASCII Name2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4-)
DefinitionAn acyl-CoA(4−) species arising from deprotonation of the phosphate and diphosphate OH groups of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC28H39N8O18P3S
Net Charge-4
Average Mass900.647
Monoisotopic Mass900.13378
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)/p-4/t17-,20-,21-,22+,26-/m1/s1
InChIKeyCNGNJOBQFRZLRY-TYHXJLICSA-J
ChEBI Ontology
Outgoing Relation(s)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−) (CHEBI:58410) is a acyl-CoA(4−) (CHEBI:58342)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−) (CHEBI:58410) is conjugate base of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206)
Incoming Relation(s)
2-amino-5-oxocyclohex-1-enecarbonyl-CoA (CHEBI:18206) is conjugate acid of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA(4−) (CHEBI:58410)
UniProt Name  Source
2-amino-5-oxocyclohex-1-enecarbonyl-CoAUniProt