Folate (C19H19N7O6)

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BMRB entry bmse000299

Entry DOI: doi:10.13018/BMSE000299
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Nathalie Francoz, Mark E. Anderson, Catherine Bougault, John L. Markley

NMR-STAR file:

bmse000299.str

NMR-STAR

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Structure file (mol/sdf):

bmse000299.mol

All files for

bmse000299

Time Domain Data:

bmse000299.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: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C12C1458.651
C5C1531.091
C6C1637.091
C7C1747.451
C18C18182.191
C13C19185.201
C16C20171.671
C15C23154.981
C11C24150.411
C10C25123.101
C9C27152.471
C8C28150.971
C3C29113.931
C4C30113.931
C1C31131.321
C2C32131.321
H44H404.2741
H37H412.152
H38H422.052
H39H432.321
H40H442.321
H41H453.9401
H42H463.9401
H43H478.3721
H35H486.1673
H36H496.1673
H34H507.3683
H33H517.3683

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: bmse000299_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: bmse000299_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: bmse000299_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: bmse000299_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: bmse000299_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: bmse000299_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000299_7.zip