(R,S)-N-Acetyl-S-[1-(hydroxymethyl)-2-propenyl)-L-cysteine-d6 + (R,S)-N-Acetyl-S-[2-(hydroxymethyl)-

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Butadiene

Purity

>95% (HPLC)