L-Cystine (C6H12N2O4S2)

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BMRB entry bmse000035

Entry DOI: doi:10.13018/BMSE000035
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file:

bmse000035.str

NMR-STAR

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Structure file (mol/sdf):

bmse000035.mol

All files for

bmse000035

Time Domain Data:

bmse000035.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: multiple; see NMR-STAR file
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
H19H153.5641
H15H162.8921
H15H163.0961
H16H172.8921
H16H173.0961
H17H212.8921
H17H213.0961
H18H222.8921
H18H223.0961
H20H233.5641

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.70
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000035_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 9.13
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000035_2.zip

3: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000035_3.zip

4: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000035_4.zip

5: 1D 13C
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000035_5.zip

6: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000035_6.zip

7: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000035_7.zip

8: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000035_8.zip

9: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000035_9.zip

10: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.19
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000035_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 11
Download time domain data: bmse000035_11.zip