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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Bilirubin (C33H36N4O6)

View large 3D structure

BMRB entry bmse000627

Entry DOI: doi:10.13018/BMSE000627
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000627.str
NMR-STAR interactive viewer
Mol file: bmse000627.mol
All files for bmse000627
Time Domain Data: bmse000627.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C15C1124.1171
C28C12131.9651
C29C13131.2071
C22C14124.6174
C23C15123.9494
C17C16120.2611
C18C17120.0471
C24C18128.6691
C25C19127.9201
C9C2019.7191
C10C2119.7191
C4C229.7514
C5C239.7324
C11C2434.6941
C12C2534.6481
C13C26100.5251
C14C2799.6181
C26C28123.7024
C27C29122.8454
C16C30122.7074
C20C31142.4581
C30C32174.4461
C31C33174.4331
C19C34124.6174
C21C35140.8551
C33C36171.8141
C32C37170.8791
C3C389.6384
C7C39127.8671
C6C409.6204
C8C41127.5761
C1C42122.5451
C2C43117.5851
H72H443.9901
H73H453.9901
H62H482.4231
H63H492.4231
H64H502.4231
H65H512.4231
H52H522.1634
H51H532.0334
H53H541.9994
H54H551.9334
H56H562.1634
H55H572.0334
H66H581.9334
H67H591.9334
H68H601.9334
H69H611.9334
H70H626.0921
H71H636.0921
H49H661.9994
H48H671.9334
H50H682.1634
H60H696.8231
H59H702.0334
H58H711.9994
H57H721.9334
H61H736.5811
H44H766.2114
H45H775.6294
H46H785.2974
H47H796.2114

NMR experiments

1: 1D 1H
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000627_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000627_2.zip

3: 1D 13C
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000627_3.zip

4: 1D DEPT90
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000627_4.zip

5: 1D DEPT135
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000627_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000627_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000627_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000627_8.zip