S-Adenosyl-L-homocysteine (C14H20N6O5S)

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BMRB entry bmse000289

Entry DOI: doi:10.13018/BMSE000289
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Vincent Morin, Mark E. Anderson, Catherine Bougault, John L. Markley

NMR-STAR file:

bmse000289.str

NMR-STAR

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Structure file (mol/sdf):

bmse000289.mol

All files for

bmse000289

Time Domain Data:

bmse000289.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C6C1356.4381
C2C1433.1191
C1C1530.4621
C3C1636.2061
C13C1790.1231
C7C1886.1011
C10C1975.9721
C9C2074.9981
C14C21176.8881
C11C22158.3884
C11C22151.6954
C12C23158.3884
C12C23151.6954
C8C24121.5641
C5C25142.8151
C4C26155.6591
H35H343.8011
H29H352.0972
H30H362.0972
H27H372.6812
H28H382.6812
H31H393.0152
H32H403.0152
H39H416.0741
H36H424.3311
H38H434.8551

NMR experiments

1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 1
Download time domain data: bmse000289_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 2
Download time domain data: bmse000289_2.zip

3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 3
Download time domain data: bmse000289_3.zip

4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 4
Download time domain data: bmse000289_4.zip

5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 5
Download time domain data: bmse000289_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 6
Download time domain data: bmse000289_6.zip