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CHEBI:15535 - oxalyl-CoA

ChEBI IDCHEBI:15535
ChEBI Nameoxalyl-CoA
Stars
DefinitionAn ω-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of oxalic acid.
Secondary ChEBI IDsCHEBI:7817, CHEBI:14707, CHEBI:25738, CHEBI:49814, CHEBI:233756
Last Modified28 March 2025
SubmitterJoanne, Marcus Ennis
DownloadsMolfile
FormulaC23H36N7O19P3S
Net Charge0
Average Mass839.560
Monoisotopic Mass839.09995
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)/t11-,14-,15-,16+,20-/m1/s1
InChIKeyQVXMZFTWJVBUHP-IBOSZNHHSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
oxalyl-CoA (CHEBI:15535) has functional parent oxalic acid (CHEBI:16995)
oxalyl-CoA (CHEBI:15535) has role Escherichia coli metabolite (CHEBI:76971)
oxalyl-CoA (CHEBI:15535) is a ω-carboxyacyl-CoA (CHEBI:37555)
oxalyl-CoA (CHEBI:15535) is conjugate acid of oxalyl-CoA(5−) (CHEBI:57388)
Incoming Relation(s)
oxalyl-CoA(5−) (CHEBI:57388) is conjugate base of oxalyl-CoA (CHEBI:15535)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms  Source
Oxalyl-CoAKEGG COMPOUND
OXALYL-COENZYME APDBeChem
Manual XrefsDatabases
C00313KEGG COMPOUND
C00313KEGG COMPOUND
OXKPDBeChem
HMDB0304445HMDB
FDB031077FooDB
LMFA07050357LIPID MAPS
Registry NumbersSources
Reaxys:15648689Reaxys
Citations