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Isovaleric acid

CAT: 0013-GTR19169584-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169584-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isovaleric acid, also known as Delphinic acid, is a natural flavor compound present in Bartlett pear brandies, vanilla, rape-honey, and bananas. In research, it is studied for its roles in metabolic pathways, as a fermentation product, and as a potential biomarker in in vitro and in vivo studies related to metabolism and disease.
CAS Number
503-74-2
Product Name Alternative
Delphinic acid, beta-methylbutyric acid, b-methylbutyric acid, 3-Methylbutanoic acid, 3-Methylbutyric acid, inhibit, Isopentanoic acid, Isovaleric acid, Inhibitor, EndogenousMetabolite, Endogenous Metabolite, β-methylbutyric acid
Field of Research
Epigenetics & Chromatin, Metabolism Research, Signal Transduction
Purity
97.89% (May vary between batches)
Solubility
DMSO:Soluble; H2O:20 mg/mL (195.83 mM)
Smiles
CC (C) CC (O) =O
Molecular Formula
C5H10O2
Molecular Weight
102.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isovaleric Acid

Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.

CAS Number503-74-2
PubChem CID10430
IUPAC Name3-methylbutanoic acid
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP1.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity66
SMILES
CC(C)CC(=O)O
InChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
GWYFCOCPABKNJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isovaleric Acid
CAS: 503-74-2
CID: 10430
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity66.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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