Itaconic acid-13C5

• CAT Number: S000777
• CAS Number: 2095777-38-9
• Molecular Formula: 13C5H6O4
• Molecular Weight: 135.06
• Purity: ≥95%
• IUPAC Name: 2-(113C)methylidene(1,2,3,4-13C4)butanedioic acid
• InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/i1+1,2+1,3+1,4+1,5+1
• InChIKey: LVHBHZANLOWSRM-CVMUNTFWSA-N
• SMILES: C=C(CC(=O)O)C(=O)O

Itaconic acid-13C5（Cat N0.:S000777） is a carbon-13 labeled version of itaconic acid, a naturally occurring dicarboxylic acid derived from the fermentation of carbohydrates. It has the chemical formula 13C5H6O4, indicating that all five carbon atoms in the molecule are enriched with the stable isotope carbon-13. This labeling is crucial for studies in metabolic research and organic synthesis, allowing scientists to trace the incorporation and distribution of itaconic acid in various biochemical pathways. It is particularly valuable in spectroscopic methods like NMR, providing detailed insights into molecular interactions and dynamics.