CHEBI:27540 - hexanoyl-CoA

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ChEBI Name hexanoyl-CoA
Definition A medium-chain fatty acyl-CoA having hexanoyl as the S-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43306, CHEBI:24575, CHEBI:5703
Supplier Information
Download Molfile XML SDF
Formula C27H46N7O17P3S
Net Charge 0
Average Mass 865.67840
Monoisotopic Mass 865.18838
InChI InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
SMILES CCCCCC(=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:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) 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.
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 hexanoyl-CoA (CHEBI:27540) has functional parent coenzyme A (CHEBI:15346)
hexanoyl-CoA (CHEBI:27540) has functional parent hexanoic acid (CHEBI:30776)
hexanoyl-CoA (CHEBI:27540) has role Escherichia coli metabolite (CHEBI:76971)
hexanoyl-CoA (CHEBI:27540) has role human metabolite (CHEBI:77746)
hexanoyl-CoA (CHEBI:27540) has role mouse metabolite (CHEBI:75771)
hexanoyl-CoA (CHEBI:27540) is a medium-chain fatty acyl-CoA (CHEBI:61907)
hexanoyl-CoA (CHEBI:27540) is conjugate acid of hexanoyl-CoA(4−) (CHEBI:62620)
Incoming 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) has functional parent hexanoyl-CoA (CHEBI:27540)
3-oxohexanoyl-CoA (CHEBI:27648) has functional parent hexanoyl-CoA (CHEBI:27540)
adipoyl-CoA (CHEBI:34528) has functional parent hexanoyl-CoA (CHEBI:27540)
hexanoyl-CoA(4−) (CHEBI:62620) is conjugate base of hexanoyl-CoA (CHEBI:27540)
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
caproyl-CoA ChEBI
caproyl-coenzyme A ChEBI
Coenzyme A, S-hexanoate ChemIDplus
hexanoyl-CoA ChEBI
Hexanoyl-coenzyme A ChemIDplus
n-hexanoyl-CoA ChEBI
n-hexanoyl-coenzyme A ChEBI
S-hexanoyl-CoA ChEBI
S-Hexanoyl-coenzym-A ChEBI
S-hexanoyl-coenzyme-A ChEBI
Manual Xrefs Databases
DB02563 DrugBank
HMDB0002845 HMDB
View more database links
Registry Numbers Types Sources
5060-32-2 CAS Registry Number ChemIDplus
78347 Reaxys Registry Number Reaxys
78347 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
18215412 PubMed citation Europe PMC
19391105 PubMed citation Europe PMC
19501572 PubMed citation Europe PMC
19581347 PubMed citation Europe PMC
7370014 PubMed citation Europe PMC
7988059 PubMed citation Europe PMC
Last Modified
27 January 2016