CHEBI:28493 - decanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name decanoyl-CoA
ChEBI ID CHEBI:28493
Definition A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4348, CHEBI:23575
Supplier Information
Download Molfile XML SDF
Formula C31H54N7O17P3S
Net Charge 0
Average Mass 921.78472
Monoisotopic Mass 921.25098
InChI InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1
InChIKey CNKJPHSEFDPYDB-HSJNEKGZSA-N
SMILES CCCCCCCCCC(=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:txidtxid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txidtxid562) 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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing decanoyl-CoA (CHEBI:28493) has functional parent coenzyme A (CHEBI:15346)
decanoyl-CoA (CHEBI:28493) has functional parent decanoic acid (CHEBI:30813)
decanoyl-CoA (CHEBI:28493) has role Escherichia coli metabolite (CHEBI:76971)
decanoyl-CoA (CHEBI:28493) has role mouse metabolite (CHEBI:75771)
decanoyl-CoA (CHEBI:28493) is a medium-chain fatty acyl-CoA (CHEBI:61907)
decanoyl-CoA (CHEBI:28493) is conjugate acid of decanoyl-CoA(4−) (CHEBI:61430)
Incoming 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493)
decanoyl-CoA(4−) (CHEBI:61430) is conjugate base of decanoyl-CoA (CHEBI:28493)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
10:0-CoA ChEBI
C10:0-CoA ChEBI
capryl-CoA ChEBI
capryl-coenzyme A ChEBI
Coenzyme A, S-decanoate ChemIDplus
Decanoyl-CoA KEGG COMPOUND
Decanoyl-coenzyme A ChemIDplus
Manual Xrefs Databases
C05274 KEGG COMPOUND
HMDB0006404 HMDB
LMFA07050022 LIPID MAPS
View more database links
Registry Numbers Types Sources
1264-57-9 CAS Registry Number ChemIDplus
8033370 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1422210 PubMed citation Europe PMC
21175 PubMed citation Europe PMC
2178686 PubMed citation Europe PMC
3729425 PubMed citation Europe PMC
4147365 PubMed citation Europe PMC
Last Modified
27 January 2016