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CHEBI:57388 - oxalyl-CoA(5−)

ChEBI IDCHEBI:57388
ChEBI Nameoxalyl-CoA(5−)
Stars
ASCII Nameoxalyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of oxalyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified28 March 2025
DownloadsMolfile
FormulaC23H31N7O19P3S
Net Charge-5
Average Mass834.520
Monoisotopic Mass834.06357
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)C(=O)[O-]
InChIInChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/p-5/t11-,14-,15-,16+,20-/m1/s1
InChIKeyQVXMZFTWJVBUHP-IBOSZNHHSA-I
ChEBI Ontology
Outgoing Relation(s)
oxalyl-CoA(5−) (CHEBI:57388) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
oxalyl-CoA(5−) (CHEBI:57388) is conjugate base of oxalyl-CoA (CHEBI:15535)
Incoming Relation(s)
oxalyl-CoA (CHEBI:15535) is conjugate acid of oxalyl-CoA(5−) (CHEBI:57388)
Synonyms  Source
oxalyl-CoA pentaanionChEBI
oxalyl-coenzyme A(5−)ChEBI
UniProt Name  Source
oxalyl-CoAUniProt
Manual XrefsDatabases
OXALYL-COAMetaCyc