ISOCAPROIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O2
Molecular Weight	116.1583
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CCC(O)=O

InChI

InChIKey=FGKJLKRYENPLQH-UHFFFAOYSA-N

InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C6H12O2
Molecular Weight	116.1583
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Measurement of androgen and estrogen receptors in breast tissue from subjects with anabolic steroid-dependent gynecomastia.	2001 Aug 17	11554608
Neural mechanisms of anhedonia in schizophrenia: a PET study of response to unpleasant and pleasant odors.	2001 Jul 25	11466121
Structures of Escherichia coli branched-chain amino acid aminotransferase and its complexes with 4-methylvalerate and 2-methylleucine: induced fit and substrate recognition of the enzyme.	2001 Jun 26	11412098
Kefir consumption does not alter plasma lipid levels or cholesterol fractional synthesis rates relative to milk in hyperlipidemic men: a randomized controlled trial [ISRCTN10820810].	2002	11825344
Evidence for the biosynthesis of DHEA from cholesterol by first-trimester human placental tissue: source of androgens.	2002 Mar	11972299
Ligand-induced conformational changes and a reaction intermediate in branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8, as revealed by X-ray crystallography.	2004 Apr 2	15033367
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.	2004 Jun 11	15250420
Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines.	2004 Jun 11	15250419
Branched-chain amino acid aminotransferase and methionine formation in Mycobacterium tuberculosis.	2004 Oct 7	15471546
Anti-tumor-promoting activity of simple models of galactoglycerolipids with branched and unsaturated acyl chains.	2005 Jan	15642411
Liver breath tests non-invasively predict higher stages of non-alcoholic steatohepatitis.	2006 Aug	16603025
Production and characterization of murine models of classic and intermediate maple syrup urine disease.	2006 Mar 31	16579849
Deorphanization of Dresden G protein-coupled receptor for an odorant receptor.	2007	17885925
Solid phase extraction, multidimensional gas chromatography mass spectrometry determination of four novel aroma powerful ethyl esters. Assessment of their occurrence and importance in wine and other alcoholic beverages.	2007 Jan 26	17137585
Application of temperature-controlled micro planar chromatography for separation and quantification of testosterone and its derivatives.	2008 Jul	18338160
N-{N-[N-(1,1-Dimethyl-ethoxy-carbon-yl)-l-leuc-yl]-N-methyl-l-leuc-yl}-N-methyl-l-leucine benzyl ester.	2008 Oct 25	21581037
Responses of plasma acetate metabolism to hop (Humulus lupulus L.) in sheep.	2009	19365576
Branched-chain 2-oxoacid transamination increases GABA-shunt metabolism and insulin secretion in isolated islets.	2009 Apr 15	19173679
Deodorization of swine manure slurry using horseradish peroxidase and peroxides.	2009 Aug 15	19171425
Identification, biosynthesis, and characterization of polyhydroxyalkanoate copolymer consisting of 3-hydroxybutyrate and 3-hydroxy-4-methylvalerate.	2009 Oct 12	19681605
Intestinal fermentation in patients with self-reported food hypersensitivity: painful, but protective?	2010	21694848
Treatment efficiency and VFA composition of a thermophilic anaerobic contact reactor treating food industry wastewater.	2010 Apr 15	20022175
A complex of 2-hydroxyisocaproyl-coenzyme A dehydratase and its activator from Clostridium difficile stabilized by aluminium tetrafluoride-adenosine diphosphate.	2010 Apr 26	20146278
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.	2010 Feb	20065117
Effects of alfa-hydroxy-isocaproic acid on body composition, DOMS and performance in athletes.	2010 Jan 5	20051111
Comonomer compositional distribution, physical properties, and enzymatic degradability of bacterial poly(3-hydroxybutyrate-co-3-hydroxy-4-methylvalerate) copolyesters.	2010 Jun 14	20441146
Preliminary studies into the characterization of chemical markers of decomposition for geoforensics.	2010 Mar 1	20070470
Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes.	2010 May	20567778

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:49:50 GMT 2023` Edited by `admin` on `Fri Dec 15 16:49:50 GMT 2023`
Record UNII	4G4U8JA28T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOCAPROIC ACID

Systematic Name

English

ISOHEXANOIC ACID

Systematic Name

English

NSC-4126

Code

English

ISOBUTYLACETIC ACID

Systematic Name

English

4-METHYLVALERIC ACID

Systematic Name

English

4-METHYLPENTANOIC ACID

Systematic Name

English

4-METHYLPENTANOIC ACID [FCC]

Common Name

English

4-METHYLPENTANOIC ACID [FHFI]

Common Name

English

PENTANOIC ACID, 4-METHYL-

Common Name

English

FEMA NO. 3463

Code

English

VALERIC ACID, 4-METHYL-

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

4-METHYLPENTANOIC ACID