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
Comonomer compositional distribution, physical properties, and enzymatic degradability of bacterial poly(3-hydroxybutyrate-co-3-hydroxy-4-methylvalerate) copolyesters.	2010-06-14	20441146
Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes.	2010-05	20567778
A complex of 2-hydroxyisocaproyl-coenzyme A dehydratase and its activator from Clostridium difficile stabilized by aluminium tetrafluoride-adenosine diphosphate.	2010-04-26	20146278
Treatment efficiency and VFA composition of a thermophilic anaerobic contact reactor treating food industry wastewater.	2010-04-15	20022175
Preliminary studies into the characterization of chemical markers of decomposition for geoforensics.	2010-03-01	20070470
Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.	2010-02	20065117
Effects of alfa-hydroxy-isocaproic acid on body composition, DOMS and performance in athletes.	2010-01-05	20051111
Intestinal fermentation in patients with self-reported food hypersensitivity: painful, but protective?	2010	21694848
Identification, biosynthesis, and characterization of polyhydroxyalkanoate copolymer consisting of 3-hydroxybutyrate and 3-hydroxy-4-methylvalerate.	2009-10-12	19681605
Deodorization of swine manure slurry using horseradish peroxidase and peroxides.	2009-08-15	19171425
Branched-chain 2-oxoacid transamination increases GABA-shunt metabolism and insulin secretion in isolated islets.	2009-04-15	19173679
Responses of plasma acetate metabolism to hop (Humulus lupulus L.) in sheep.	2009	19365576
N-{N-[N-(1,1-Dimethyl-ethoxy-carbon-yl)-l-leuc-yl]-N-methyl-l-leuc-yl}-N-methyl-l-leucine benzyl ester.	2008-10-25	21581037
Application of temperature-controlled micro planar chromatography for separation and quantification of testosterone and its derivatives.	2008-07	18338160
An allylic ketyl radical intermediate in clostridial amino-acid fermentation.	2008-03-13	18337824
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.	2007-01-26	17137585
Deorphanization of Dresden G protein-coupled receptor for an odorant receptor.	2007	17885925
Liver breath tests non-invasively predict higher stages of non-alcoholic steatohepatitis.	2006-08	16603025
Production and characterization of murine models of classic and intermediate maple syrup urine disease.	2006-03-31	16579849
Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin.	2005-11-04	16141215
Anti-tumor-promoting activity of simple models of galactoglycerolipids with branched and unsaturated acyl chains.	2005-01	15642411
Branched-chain amino acid aminotransferase and methionine formation in Mycobacterium tuberculosis.	2004-10-07	15471546
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.	2004-06-11	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.	2004-06-11	15250419
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.	2004-04-02	15033367
Insulin effect on leucine kinetics in type 2 diabetes mellitus.	2002-06	12173727
Evidence for the biosynthesis of DHEA from cholesterol by first-trimester human placental tissue: source of androgens.	2002-03	11972299
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
Measurement of androgen and estrogen receptors in breast tissue from subjects with anabolic steroid-dependent gynecomastia.	2001-08-17	11554608
Neural mechanisms of anhedonia in schizophrenia: a PET study of response to unpleasant and pleasant odors.	2001-07-25	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.	2001-06-26	11412098

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:36:50 GMT 2025` Edited by `admin` on `Mon Mar 31 18:36:50 GMT 2025`
Record UNII	4G4U8JA28T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLPENTANOIC ACID

Preferred Name

English

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 [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