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607541

Sigma-Aldrich

2-Ketobutyric acid-13C4,3,3-d2 sodium salt hydrate

99 atom % 13C, 98 atom % D, 98% (CP)

Synonym(s):

α-Keto-butyric acid-4-13C4-3,3-d2 sodium, α-Ketobutyric acid-4-13C4-3,3-d2 sodium salt, 2-Oxobutanoic acid-13C4,3,3-d2 sodium salt, Sodium α-ketobutyrate-13C4,3,3-d2

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About This Item

Linear Formula:
13CH313CD213CO13CO2Na · xH2O
Molecular Weight:
130.05 (anhydrous basis)
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % 13C
98 atom % D

Quality Level

Assay

98% (CP)

form

solid

technique(s)

bio NMR: suitable

mp

210 °C (dec.) (lit.)

mass shift

M+6

SMILES string

O.[Na+].[2H][13C]([2H])([13CH3])[13C](=O)[13C]([O-])=O

InChI

1S/C4H6O3.Na.H2O/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1,2+1D2,3+1,4+1;;

InChI key

PVLJVKQSCAHPPR-WVMSAXHDSA-M

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Soumya P Behera et al.
Nature communications, 11(1), 5547-5547 (2020-11-05)
Methyl-NMR enables atomic-resolution studies of structure and dynamics of large proteins in solution. However, resonance assignment remains challenging. The problem is to combine existing structural informational with sparse distance restraints and search for the most compatible assignment among the permutations.

Articles

We presents an informational article concerning biomolecular NMR and the use of Isotope Labeling Methods for Protein Dynamics Studies.

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