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CHEBI:188489 - cyclohex-2,5-dienecarboxyl-CoA(4−)

ChEBI IDCHEBI:188489
ChEBI Namecyclohex-2,5-dienecarboxyl-CoA(4−)
Stars
ASCII Namecyclohex-2,5-dienecarboxyl-CoA(4-)
DefinitionTetraanion of cyclohex-2,5-dienecarboxyl-CoA arising from deprotonation of phosphate and diphosphate functions; major mirospecies at pH 7.3.
Last Modified14 March 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H38N7O17P3S
Net Charge-4
Average Mass869.633
Monoisotopic Mass869.12797
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)C1C=CCC=C1
InChIInChI=1S/C28H42N7O17P3S/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/h4-7,14-17,20-22,26,37-38H,3,8-13H2,1-2H3,(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
InChIKeyGHVYLQATKJQWLV-TYHXJLICSA-J
ChEBI Ontology
Outgoing Relation(s)
cyclohex-2,5-dienecarboxyl-CoA(4−) (CHEBI:188489) has functional parent cyclohex-2,5-dienecarboxylate (CHEBI:188487)
cyclohex-2,5-dienecarboxyl-CoA(4−) (CHEBI:188489) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
cyclohex-2,5-dienecarboxyl-CoAUniProt