Pantothenate (C9 H17 N O5)

Pantothenate bmse000287 - Data bmst000280 - Theory

Natural Isotopic formula weight: 219.2349800000

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bmse000287 Data

Entry STAR file: bmse000287.str
NMR-STAR interactive viewer
Time Domain Data: bmse000287.zip
BMRB Entry DOI: doi:10.13018/BMSE000287
Mol file: bmse000287.mol

Pantothenate
Source:   Sigma P2254
Solvent:   100 % D2O
Buffer:   50 mM sodium phosphate
Cytocide:   500 µM sodium azide
Reference:   500 µM DSS

Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 400 MHz

Data Source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.

View the GISSMO record for this entry.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773

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