BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Tyrosine (C9 H11 N O3)

Natural Isotopic formula weight: 181.1885400000

View large 3D structure

bmse000051 Data

Entry STAR file: bmse000051.str
NMR-STAR interactive viewer
Mol file: bmse000051.mol
All files for bmse000051
Time Domain Data: bmse000051.zip
BMRB Entry DOI: doi:10.13018/BMSE000051

L-Tyrosine
Source:   sigma/aldrich
Solvent:   100 % D2O
Buffer:   50 mM sodium phosphate
Cytocide:   500 µM sodium azide
Reference:   0.1 % DSS

Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 500 MHz

Data Source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich.

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

View Assigned Chemical Shifts

Experimental Data:

1D 1H, 0.5 mM

Concentration: 0.5 mM
temperature: 298 K
pH: 7.70
1D 1H, 0.5 mM, 7.70 spectrum for L-Tyrosine
Download time domain data: bmse000051_1.zip

1D 1H, 2.0 mM

Concentration: 2.0 mM
temperature: 298 K
pH: 9.43
1D 1H, 2.0 mM, 9.43 spectrum for L-Tyrosine
Download time domain data: bmse000051_2.zip

1D 1H

Concentration: saturated mM
temperature: 298 K
pH: 11.15
1D 1H, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_3.zip

2D [1H,1H]-TOCSY

Concentration: saturated mM
temperature: 298 K
pH: 11.15
2D [1H,1H]-TOCSY, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_4.zip

1D 13C

Concentration: saturated mM
temperature: 298 K
pH: 11.15
1D 13C, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_5.zip

1D DEPT90

Concentration: saturated mM
temperature: 298 K
pH: 11.15
1D DEPT90, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_6.zip

1D DEPT135

Concentration: saturated mM
temperature: 298 K
pH: 11.15
1D DEPT135, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_7.zip

2D [1H,13C]-HSQC

Concentration: saturated mM
temperature: 298 K
pH: 11.15
2D [1H,13C]-HSQC, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_8.zip

2D [1H,13C]-HMBC

Concentration: saturated mM
temperature: 298 K
pH: 11.15
2D [1H,13C]-HMBC, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_9.zip

2D [1H,1H]-COSY

Concentration: saturated mM
temperature: 298 K
pH: 11.15
2D [1H,1H]-COSY, 11.15 spectrum for L-Tyrosine
Download time domain data: bmse000051_10.zip

2D [1H,13C]-HSQC SW small

Concentration: saturated mM
temperature: 298 K
pH: 10.5
2D [1H,13C]-HSQC SW small, 10.5 spectrum for L-Tyrosine
Download time domain data: bmse000051_11.zip