Vitamin B₅ (di-β-alanine-¹³C₆,¹⁵N₂) calcium salt

isotopic purity

 ¹³C
 ¹⁵N
≥98 atom %

Quality Level

200

Assay

≥97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

color

white to off-white

mass shift

M+8

storage temp.

−20°C

SMILES string

CC(C)(CO)[C@@H](O)C(=O)[15NH][13CH2][13CH2][13C](=O)O[Ca]O[13C](=O)[13CH2][13CH2][15NH]C(=O)[C@H](O)C(C)(C)CO

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;

InChI key

FAPWYRCQGJNNSJ-DXAJRXMUSA-L