N-Acetyl-S-(3,4-dihydroxybutyl)-L-cysteine (Mixture of Diastereomers)
Product Code
TRC-A173710
CAS Number
Product Format
Neat
Molecular Formula
C9 H17 N O5 S
Molecular Weight
251.30
Product Categories
TRC, Additional endogenous metabolites, Cancer Research Chemicals and Analytical Standards
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N-Acetyl-S-(3,4-dihydroxybutyl)-L-cysteine
CAS Number
144889-50-9
Molecular Formula
C9 H17 N O5 S
Molecular Weight
251.30
Accurate Mass
251.0827
SMILES
CC(=O)N[C@@H](CSCCC(O)CO)C(=O)O
InChI
InChI=1S/C9H17NO5S/c1-6(12)10-8(9(14)15)5-16-3-2-7(13)4-11/h7-8,11,13H,2-5H2,1H3,(H,10,12)(H,14,15)/t7?,8-/m0/s1
IUPAC
(2R)-2-acetamido-3-(3,4-dihydroxybutylsulfanyl)propanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Impurity
Product Format
Neat
Purity
>95% (HPLC)
Product Description
Metabolites of butadiene. Has been studied as a urinary biomarker for smoking-related urothelial carcinoma.
References: Heavner, D., et al.: J. Pharm. Biomed. Anal., 40, 928 (2006); Carmella, S., et al.: Chem. Res. Toxicol., 22, 734 (2009); Chung, C., et al.: Environ. Sci. Pollut. Res., (2020)
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