CHEBI:28528 - 3-oxodecanoyl-CoA

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ChEBI Name 3-oxodecanoyl-CoA
ChEBI ID CHEBI:28528
Definition An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1633, CHEBI:20166
Supplier Information
Download Molfile XML SDF
Formula C31H52N7O18P3S
Net Charge 0
Average Mass 935.76824
Monoisotopic Mass 935.230
InChI InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1
InChIKey AZCVXMAPLHSIKY-HSJNEKGZSA-N
SMILES CCCCCCCC(=O)CC(=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
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
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.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent 3-oxodecanoic acid (CHEBI:37157)
3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493)
3-oxodecanoyl-CoA (CHEBI:28528) has role Escherichia coli metabolite (CHEBI:76971)
3-oxodecanoyl-CoA (CHEBI:28528) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-oxodecanoyl-CoA (CHEBI:28528) has role human metabolite (CHEBI:77746)
3-oxodecanoyl-CoA (CHEBI:28528) has role mouse metabolite (CHEBI:75771)
3-oxodecanoyl-CoA (CHEBI:28528) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxodecanoyl-CoA (CHEBI:28528) is conjugate acid of 3-oxodecanoyl-CoA(4−) (CHEBI:62548)
Incoming 3-oxodecanoyl-CoA(4−) (CHEBI:62548) is conjugate base of 3-oxodecanoyl-CoA (CHEBI:28528)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms Sources
3-ketodecanoyl-CoA ChEBI
3-ketodecanoyl-coenzyme A ChEBI
3-Oxodecanoyl-CoA KEGG COMPOUND
3-oxodecanoyl-coenzyme A ChEBI
Database Links Databases
C05265 KEGG COMPOUND
CPD0-2123 MetaCyc
HMDB03939 HMDB
View more database links
Citation Waiting for Citations Type Source
344310 PubMed citation Europe PMC
Last Modified
27 January 2016
General Comment
2011-04-22 An intermediate in fatty acid metabolism and a substrate of the enzymes beta-hydroxyacyl-CoA dehydrogenase and 3-hydroxyacyl-CoA dehydrogenase.