CHEBI:57388 - oxalyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxalyl-CoA(5−)
ChEBI ID CHEBI:57388
ChEBI ASCII Name oxalyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of oxalyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H31N7O19P3S
Net Charge -5
Average Mass 834.51400
Monoisotopic Mass 834.06357
InChI InChI=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
InChIKey QVXMZFTWJVBUHP-IBOSZNHHSA-I
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)C([O-])=O
ChEBI Ontology
Outgoing 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 oxalyl-CoA (CHEBI:15535) is conjugate acid of oxalyl-CoA(5−) (CHEBI:57388)
Synonyms Sources
oxalyl-CoA UniProt
oxalyl-CoA pentaanion ChEBI
oxalyl-coenzyme A(5−) ChEBI
Last Modified
02 February 2017