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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(+)-Biotin (C10H16N2O3S)

View large 3D structure

BMRB entry bmse000227

Entry DOI: doi:10.13018/BMSE000227
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Perrine Plisson, Mark E. Anderson, Catherine Bougault, John L. Markley

NMR-STAR file: bmse000227.str
NMR-STAR interactive viewer
Mol file: bmse000227.mol
All files for bmse000227
Time Domain Data: bmse000227.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C8C1186.531
C4C440.061
C2C528.421
C1C631.0181
C3C730.431
C7C858.091
C5C1042.481
C6C1162.991
C10C13168.121
C9C1664.731
H23H172.1851
H24H182.1851
H19H191.5971
H20H201.5971
H17H211.411
H18H221.411
H21H231.7122
H22H241.5972
H28H253.351
H25H262.9951
H26H272.7701
H27H284.601
H29H314.431

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000227_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000227_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000227_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000227_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000227_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000227_6.zip