(R,S)-N-Acetyl-S-[1-(hydroxymethyl)-2-propenyl)-L-cysteine-d6 + (R,S)-N-Acetyl-S-[2-(hydroxymethyl)-
Product Code
TRC-A179007
Product Format
Neat
Molecular Formula
C9 D6 H9 N O4 S
Molecular Weight
239.32
API Family
ButadieneProduct Categories
TRC, Additional endogenous metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N-Acetyl-S-[1(2)-(hydroxymethyl)-2-propenyl)-L-cysteine-d6 (mixture)
Molecular Formula
C9 D6 H9 N O4 S
Molecular Weight
239.32
Accurate Mass
239.1098
SMILES
[2H]C(=C([2H])C([2H])(O)C([2H])([2H])SC[C@H](NC(=O)C)C(=O)O)[2H].[2H]C(=C([2H])C([2H])(SC[C@H](NC(=O)C)C(=O)O)C([2H])([2H])O)[2H]
InChI
InChI=1S/2C9H15NO4S/c1-3-7(12)4-15-5-8(9(13)14)10-6(2)11;1-3-7(4-11)15-5-8(9(13)14)10-6(2)12/h3,7-8,12H,1,4-5H2,2H3,(H,10,11)(H,13,14);3,7-8,11H,1,4-5H2,2H3,(H,10,12)(H,13,14)/t2*7?,8-/m00/s1/i2*1D2,3D,4D2,7D
IUPAC
(2R)-2-acetamido-3-(1,1,2,3,4,4-hexadeuterio-2-hydroxy-but-3-enyl)sulfanyl-propanoic acid;(2R)-2-acetamido-3-[1,2,3,3-tetradeuterio-1-[dideuterio(hydroxy)methyl]allyl]sulfanyl-propanoic acid
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
A mixture of 2 labelled metabolites of Bbutadiene. The isomeric ratio has been determine to be approximately 1:1 based on proton nmr integration.
References: Barnsley, E.A., et al.: Biochem. J., 100, 362 (1966),