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3-Hydroxyisovaleric acid

CAT: 0804-HY-113409-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-113409-02Size:10 mM - 1 mL
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Description
3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2].
CAS Number
625-08-1
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-Hydroxyisovaleric_acid.html
Concentration
10mM
Purity
98.92
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : ≥ 100 mg/mL
Smiles
CC(C)(O)CC(O)=O
Molecular Formula
C5H10O3
Molecular Weight
118.13
Precautions
H302, H315, H319, H335
References & Citations
[1]Mock NI, et al. Increased urinary excretion of 3-hydroxyisovaleric acid and decreased urinary excretion of biotin are sensitive early indicators of decreased biotin status in experimental biotin deficiency. 1997 Apr;65 (4) :951-8.|[2]Watanabe T, et al. Measurement of 3-hydroxyisovaleric acid in urine of biotin-deficient infants and mice by HPLC. J Nutr. 2005 Mar;135 (3) :615-8.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

3-Hydroxyisovaleric acid

3-hydroxyisovaleric acid is a 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. It has a role as a human metabolite. It is functionally related to an isovaleric acid and a butyric acid. It is a conjugate acid of a 3-hydroxyisovalerate.

CAS Number625-08-1
PubChem CID69362
IUPAC Name3-hydroxy-3-methylbutanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP-0.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity95
SMILES
CC(C)(CC(=O)O)O
InChI
InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChIKey
AXFYFNCPONWUHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyisovaleric acid
CAS: 625-08-1
CID: 69362
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity95.8
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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