CHEBI:15539 - propionyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propionyl-CoA
ChEBI ID CHEBI:15539
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of propionic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8479, CHEBI:14904, CHEBI:14907, CHEBI:26295
Supplier Information
Download Molfile XML SDF
Formula C24H40N7O17P3S
Net Charge 0
Average Mass 823.59866
Monoisotopic Mass 823.141
InChI InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1
InChIKey QAQREVBBADEHPA-IEXPHMLFSA-N
SMILES CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing propionyl-CoA (CHEBI:15539) has functional parent coenzyme A (CHEBI:15346)
propionyl-CoA (CHEBI:15539) has functional parent propionic acid (CHEBI:30768)
propionyl-CoA (CHEBI:15539) has role Escherichia coli metabolite (CHEBI:76971)
propionyl-CoA (CHEBI:15539) has role metabolite (CHEBI:25212)
propionyl-CoA (CHEBI:15539) has role mouse metabolite (CHEBI:75771)
propionyl-CoA (CHEBI:15539) is a acyl-CoA (CHEBI:17984)
propionyl-CoA (CHEBI:15539) is conjugate acid of propionyl-CoA(4−) (CHEBI:57392)
Incoming 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoyl-CoA (CHEBI:15482) has functional parent propionyl-CoA (CHEBI:15539)
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA (CHEBI:17068) has functional parent propionyl-CoA (CHEBI:15539)
3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent propionyl-CoA (CHEBI:15539)
3-substituted propionyl-CoA (CHEBI:65122) has functional parent propionyl-CoA (CHEBI:15539)
propionyl-CoA(4−) (CHEBI:57392) is conjugate base of propionyl-CoA (CHEBI:15539)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonyms Sources
Propanoyl-CoA KEGG COMPOUND
propanoyl-coenzyme A ChEBI
Propionyl coenzyme A KEGG COMPOUND
Propionyl-CoA KEGG COMPOUND
Propionyl-coenzyme A ChemIDplus
S-propanoyl-CoA ChEBI
S-propanoyl-coenzyme A ChEBI
S-Propionyl-coenzym-A ChEBI
S-Propionylcoenzyme A ChemIDplus
Database Links Databases
C00100 KEGG COMPOUND
c0363 UM-BBD
DB02912 DrugBank
HMDB0001275 HMDB
View more database links
Registry Numbers Types Sources
317-66-8 CAS Registry Number KEGG COMPOUND
317-66-8 CAS Registry Number ChemIDplus
78167 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12700259 PubMed citation Europe PMC
12824185 PubMed citation Europe PMC
15514053 PubMed citation Europe PMC
1595124 PubMed citation Europe PMC
1819469 PubMed citation Europe PMC
2009071 PubMed citation Europe PMC
3003041 PubMed citation Europe PMC
Last Modified
27 January 2016