CHEBI:15535 - oxalyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name oxalyl-CoA
ChEBI ID CHEBI:15535
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49814, CHEBI:7817, CHEBI:14707, CHEBI:25738
Supplier Information
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Formula C23H36N7O19P3S
Net Charge 0
Average Mass 839.55500
Monoisotopic Mass 839.09995
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)/t11-,14-,15-,16+,20-/m1/s1
InChIKey QVXMZFTWJVBUHP-IBOSZNHHSA-N
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
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
Oxalyl-CoA KEGG COMPOUND
OXALYL-COENZYME A PDBeChem
Manual Xref Database
C00313 KEGG COMPOUND
View more database links
Registry Number Type Source
15648689 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12834851 PubMed citation Europe PMC
18162462 PubMed citation Europe PMC
5472155 PubMed citation Europe PMC
Last Modified
25 January 2016