hexanoyl-coenzyme a

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Cross-References

ID Source	ID
PubMed CID	449118
CHEBI ID	27540
SCHEMBL ID	60392
MeSH ID	M0129224

Synonyms (28)

Synonym
coenzyme a, hexanoyl-
s-hexanoyl-coa
n-hexanoyl-coenzyme a
hexanoyl-coenzyme a
s-hexanoyl-coenzyme-a
3'-phosphoadenosine 5'-(3-{(3r)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
caproyl-coa
5060-32-2
caproyl-coenzyme a
s-hexanoyl-coenzym-a
coenzyme a, s-hexanoate
n-hexanoyl-coa
CHEBI:27540
C05270
hexanoyl-coa ,
DB02563
s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexanethioate
SCHEMBL60392
caproyl coenzyme a
hexanoyl coenzyme a
hexanoyl coa
LMFA07050328
s-{(9r,13r,15s)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} hexanethioate (non-preferred name
Q27103184
9-{5-o-[{[{4-[(3-{[2-(hexanoylsulfanyl)ethyl]imino}-3-hydroxypropyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-o-phosphonopentofuranosyl}-9h-purin-6-amine
DTXSID40964834
s-(2-(3-((2r)-4-(((((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) hexanethioate
hexanoyl-coenzyme a; (acyl-coa); [m+h]+;

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

Role	Description
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

Class	Description
medium-chain fatty acyl-CoA	A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any medium-chain fatty acid.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (20)

Pathway	Proteins	Compounds
Fatty Acid Metabolism	14	41
Fatty Acid Elongation in Mitochondria	7	34
Ethylmalonic Encephalopathy	14	41
Glutaric Aciduria Type I	14	41
Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency)	14	41
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids	8	18
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids	8	23
Carnitine Palmitoyl Transferase Deficiency I	14	41
Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)	14	41
Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD)	14	41
Carnitine Palmitoyl Transferase Deficiency II	14	41
Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD)	14	41
Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD)	7	34
Trifunctional Protein Deficiency	14	41
Short-Chain 3-Hydroxyacyl-CoA Dehydrogenase Deficiency (SCHAD)	8	18
Fatty Acid Elongation In Mitochondria	3	34
Fatty Acid Oxidation (Hexanoate)	2	14
Fatty Acid Oxidation (Octanoate)	2	14
Mitochondrial beta-oxidation	0	64
Fatty acid beta-oxidation	0	25
Metabolism overview	0	78

Research

Studies (15)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (6.67)	18.7374
1990's	1 (6.67)	18.2507
2000's	5 (33.33)	29.6817
2010's	8 (53.33)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.34

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	12.34 (24.57)
Research Supply Index	2.77 (2.92)
Research Growth Index	5.11 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.34)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	15 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
galactose galactopyranose : The pyranose form of galactose.	2.21	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	2.01	1	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.44	2	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.	2.01	1	mercaptopropanoic acid	algal metabolite
n-pentanoic acid n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms.	1.96	1	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid.	2.07	1	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	2.21	1	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
acetoacetyl coa [no description available]	2	1	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
delta(9)-tetrahydrocannabinolic acid Delta(9)-tetrahydrocannabinolic acid : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.	2.21	1	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent
butyryl-coenzyme a [no description available]	2.49	2	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
octanoyl-coenzyme a [no description available]	2.05	1
cannabidiolic acid cannabidiolic acid: structure. cannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.	2.21	1	dihydroxybenzoic acid; phytocannabinoid; polyketide; resorcinols
isovaleryl-coenzyme a [no description available]	2.11	1	methylbutanoyl-CoA; short-chain fatty acyl-CoA	mouse metabolite
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	2.21	1	3,5-dihydroxy-3-methylpentanoic acid
geranyl pyrophosphate geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol.	2.21	1	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
palmitoyl coenzyme a Palmitoyl Coenzyme A: A fatty acid coenzyme derivative which plays a key role in fatty acid oxidation and biosynthesis.. palmitoyl-CoA : A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A.	1.96	1	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
olivetolic acid olivetolic acid: structure in first source. olivetolic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively.	2.21	1	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
isobutyryl-coenzyme a [no description available]	2.11	1	methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA	human metabolite; mouse metabolite
glutaryl-coenzyme a [no description available]	2	1	glutaryl-CoAs	mouse metabolite
crotonyl-coenzyme a crotonoyl-CoA : The (E)-isomer of but-2-enoyl-CoA.	2	1	but-2-enoyl-CoA
cannabigerolic acid cannabigerolic acid: structure in first source. cannabigerolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.	2.21	1	dihydroxybenzoic acid; diterpenoid; phytocannabinoid; polyketide; resorcinols
valeryl-coenzyme a pentanoyl-CoA : A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentanoic acid.	2.41	2	short-chain fatty acyl-CoA
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	2.08	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	2.21	1	monohydroxybenzoate	plant metabolite

Condition	Indicated	Relationship Strength	Studies	Trials
Infections, Listeria [description not available]	0	2.13	1	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	1.98	1	0

chemdatabank.com