Pantothenic acid-13C3,15N hemicalcium

• CAT Number: S000522
• CAS Number: 356786-94-2
• Molecular Formula: C9H17NO5.1/2Ca
• Molecular Weight: 243.24
• Purity: ≥95%
• IUPAC Name: calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoate
• InChI: InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1/i2*3+1,4+1,6+1,10+1
• InChIKey: FAPWYRCQGJNNSJ-DXAJRXMUSA-L
• SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]

Pantothenic acid-13C3,15N（Cat No.:S000522） hemicalcium is an isotopically labeled form of pantothenic acid (vitamin B5), where three carbon atoms are replaced with carbon-13 (13C) and one nitrogen atom with nitrogen-15 (15N). This version also includes a hemicalcium salt to enhance solubility and stability. Pantothenic acid is essential for synthesizing coenzyme A, crucial for fatty acid synthesis and metabolism. The isotopic labeling allows for precise tracking of its metabolic pathways and interactions within biological systems using advanced analytical techniques. This is particularly valuable in nutritional studies and research into metabolic disorders.