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N-Isovalerylglycine

CAT: 0013-GTR19158350-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158350-01Size:100 mg
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Description
Isovalerylglycine (IVG) is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine CoA + N-acylglycine. Isovalerylglycine is a byproduct of the catabolism of the amino acid leucine. Accumulation of isovalerylglycine occurs in Isovaleric Acidemia (IVA) .
CAS Number
16284-60-9
Product Name Alternative
N-Isovaleroylglycine | Isovaleroylglycine
Purity
>98% (HPLC)
Solubility
DMSO: 5 mg/mL; Methanol: 2 mg/mL
Smiles
CC (C) CC (=O) NCC (O) =O
Molecular Formula
C7H13NO3
Molecular Weight
159.18
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-Isovaleroylglycine

N-isovalerylglycine is an N-acylglycine in which the acyl group is specified as isovaleryl. It has a role as a human urinary metabolite. It is a conjugate acid of a N-isovalerylglycinate.

CAS Number16284-60-9
PubChem CID546304
IUPAC Name2-(3-methylbutanoylamino)acetic acid
Molecular FormulaC7H13NO3
Molecular Weight159.18
XLogP1.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
CC(C)CC(=O)NCC(=O)O
InChI
InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
ZRQXMKMBBMNNQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Isovaleroylglycine
CAS: 16284-60-9
CID: 546304
Formula: C7H13NO3
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass159.08954328
Monoisotopic Mass159.08954328
Topological Polar Surface Area66.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
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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