CHEBI:15533 - octanoyl-CoA

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ChEBI Name octanoyl-CoA
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 octanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41542, CHEBI:7724, CHEBI:14681, CHEBI:25651
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Formula C29H50N7O17P3S
Net Charge 0
Average Mass 893.730
Monoisotopic Mass 893.21968
InChI InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing octanoyl-CoA (CHEBI:15533) has functional parent octanoic acid (CHEBI:28837)
octanoyl-CoA (CHEBI:15533) has role Escherichia coli metabolite (CHEBI:76971)
octanoyl-CoA (CHEBI:15533) has role mouse metabolite (CHEBI:75771)
octanoyl-CoA (CHEBI:15533) is a medium-chain fatty acyl-CoA (CHEBI:61907)
octanoyl-CoA (CHEBI:15533) is conjugate acid of octanoyl-CoA(4−) (CHEBI:57386)
Incoming (R)-3-hydroxyoctanoyl-CoA (CHEBI:28573) has functional parent octanoyl-CoA (CHEBI:15533)
(S)-3-hydroxyoctanoyl-CoA (CHEBI:28632) has functional parent octanoyl-CoA (CHEBI:15533)
3-oxooctanoyl-CoA (CHEBI:28264) has functional parent octanoyl-CoA (CHEBI:15533)
3-thiaoctanoyl-CoA (CHEBI:41611) has functional parent octanoyl-CoA (CHEBI:15533)
7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) has functional parent octanoyl-CoA (CHEBI:15533)
octanoyl-CoA(4−) (CHEBI:57386) is conjugate base of octanoyl-CoA (CHEBI:15533)
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
8:0-CoA ChEBI
C8:0-CoA ChEBI
capryloyl-CoA ChEBI
capryloyl-coenzyme A ChEBI
Coenzyme A, S-octanoate ChemIDplus
n-octanoyl-CoA ChEBI
Octanoyl-coa ChemIDplus
Octanoyl-coenzyme A ChemIDplus
octanoylcoenzyme A ChEBI
octylyl-CoA ChEBI
octylyl-coenzyme A ChEBI
Manual Xrefs Databases
393007 ChemSpider
c0048 UM-BBD
CO8 PDBeChem
DB02910 DrugBank
FDB022409 FooDB
HMDB0001070 HMDB
Octanoyl-CoA Wikipedia
View more database links
Registry Numbers Types Sources
1264-52-4 CAS Registry Number ChemIDplus
6562085 Beilstein Registry Number Beilstein
8033230 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
09 June 2021