L-Phenylmercapturic acid-d5

• CAT Number: R001793
• CAS Number: 1331906-27-4
• Molecular Formula: C11H8D5NO3S
• Molecular Weight: 244.32
• Purity: ≥95%
• Synonyms: (2S)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanylpropanoic acid
• InChI: InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i2D,3D,4D,5D,6D
• InChIKey: CICOZWHZVMOPJS-WYDCHYGLSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])SC[C@H](C(=O)O)NC(=O)C)[2H])[2H]

L-Phenylmercapturic acid-d5(CAT: R001793) is a stable isotope-labeled derivative of L-Phenylmercapturic acid, primarily used as a biomarker in toxicology and metabolic research. This compound is a metabolite of benzene and serves as a critical indicator in exposure assessment studies. It is commonly analyzed in biological fluids to evaluate benzene metabolism and detoxification pathways. While not directly linked to the core eight therapeutic fields, it plays a vital role in metabolic disease research, particularly in understanding xenobiotic metabolism and its implications for toxicological assessments. Additionally, its labeled form enhances precision in mass spectrometry-based quantification studies.