FAD (C27H33N9O15P2)

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BMRB entry bmse000226

Entry DOI: doi:10.13018/BMSE000226
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000226.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000226.mol

All files for

bmse000226

Time Domain Data:

bmse000226.zip

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
C1C123.4504
C1C121.3064
C2C223.4504
C2C221.3064
C3C3119.1391
C4C4133.1151
C8C5155.0401
C9C6141.8031
C7C770.5524
C7C767.8384
C5C849.8301
C6C970.5524
C6C967.8384
C10C10164.0694
C10C10160.4644
C10C10157.4014
C10C10153.2024
C10C10150.7514
C10C10137.3024
C10C10136.7204
C10C10134.1134
C10C10120.4014
C11C11164.0694
C11C11160.4644
C11C11157.4014
C11C11153.2024
C11C11150.7514
C11C11137.3024
C11C11136.7204
C11C11134.1134
C11C11120.4014
C12C12164.0694
C12C12160.4644
C12C12157.4014
C12C12153.2024
C12C12150.7514
C12C12137.3024
C12C12136.7204
C12C12134.1134
C12C12120.4014
C13C13164.0694
C13C13160.4644
C13C13157.4014
C13C13153.2024
C13C13150.7514
C13C13137.3024
C13C13136.7204
C13C13134.1134
C13C13120.4014
C17C14164.0694
C17C14160.4644
C17C14157.4014
C17C14153.2024
C17C14150.7514
C17C14137.3024
C17C14136.7204
C17C14134.1134
C17C14120.4014
C18C15164.0694
C18C15160.4644
C18C15157.4014
C18C15153.2024
C18C15150.7514
C18C15137.3024
C18C15136.7204
C18C15134.1134
C18C15120.4014
C22C16164.0694
C22C16160.4644
C22C16157.4014
C22C16153.2024
C22C16150.7514
C22C16137.3024
C22C16136.7204
C22C16134.1134
C22C16120.4014
C25C17206.9884
C23C18164.0694
C23C18160.4644
C23C18157.4014
C23C18153.2024
C23C18150.7514
C23C18137.3024
C23C18136.7204
C23C18134.1134
C23C18120.4014
C24C19164.0694
C24C19160.4644
C24C19157.4014
C24C19153.2024
C24C19150.7514
C24C19137.3024
C24C19136.7204
C24C19134.1134
C24C19120.4014
C27C20206.9884
C16C2186.2551
C20C2277.5904
C20C2275.1904
C20C2273.8874
C20C2272.6744
C20C2272.0204
C21C2377.5904
C21C2375.1904
C21C2373.8874
C21C2372.6744
C21C2372.0204
C26C2489.8291
C14C2577.5904
C14C2575.1904
C14C2573.8874
C14C2572.6744
C14C2572.0204
C15C2677.5904
C15C2675.1904
C15C2673.8874
C15C2672.6744
C15C2672.0204
C19C2777.5904
C19C2775.1904
C19C2773.8874
C19C2772.6744
C19C2772.0204
H56H542.3964
H56H542.3334
H55H552.3964
H55H552.3334
H54H562.3964
H54H562.3334
H58H572.3964
H58H572.3334
H59H582.3964
H59H582.3334
H57H592.3964
H57H592.3334
H60H607.5411
H61H617.6191
H68H627.8471
H69H638.3071
H66H644.3324
H66H644.0534
H67H654.3324
H67H654.0534
H62H664.3324
H62H664.0534
H63H674.3324
H63H674.0534
H64H684.3324
H64H684.0534
H65H694.3324
H65H694.0534
H72H704.3324
H72H704.0534
H74H714.5104
H74H714.4734
H74H713.8954
H74H714.0534
H75H724.5104
H75H724.4734
H75H723.8954
H75H724.0534
H76H735.8291
H70H744.5104
H70H744.4734
H70H743.8954
H70H744.3324
H70H744.0534
H71H754.5104
H71H754.4734
H71H753.8954
H71H754.3324
H71H754.0534
H73H764.5104
H73H764.4734
H73H763.8954
H73H764.3324

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000226_1.zip

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

Array spectrum for 2
Download time domain data: bmse000226_2.zip

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

Array spectrum for 3
Download time domain data: bmse000226_3.zip

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

Array spectrum for 4
Download time domain data: bmse000226_4.zip

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

Array spectrum for 5
Download time domain data: bmse000226_5.zip

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

Array spectrum for 6
Download time domain data: bmse000226_6.zip