Argininosuccinic Acid (C10H18N4O6)

View large 3D structure

BMRB entry bmse000931

Entry DOI: doi:10.13018/BMSE000931
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000931.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000931.mol

All files for

bmse000931

Time Domain Data:

bmse000931.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 - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C1145.3484
C2C1143.3814
C2C1143.2984
C2C1130.3254
C2C1126.6654
C1C1245.3484
C1C1243.3814
C1C1243.2984
C1C1230.3254
C1C1226.6654
C5C1373.0821
C5C1357.7871
C5C1356.9951
C3C1445.3484
C3C1443.3814
C3C1443.2984
C3C1430.3254
C3C1426.6654
C6C1573.0821
C6C1557.7871
C6C1556.9951
C4C1645.3484
C4C1643.3814
C4C1643.2984
C4C1630.3254
C4C1626.6654
C10C17158.5661
C10C17138.0721
C8C18183.8084
C8C18182.5874
C8C18181.6464
C8C18179.8984
C8C18177.2894
C9C19183.8084
C9C19182.5874
C9C19181.6464
C9C19179.8984
C9C19177.2894
C7C20183.8084
C7C20182.5874
C7C20181.6464
C7C20179.8984
C7C20177.2894
H23H213.2694
H23H212.9124
H23H212.8134
H23H212.6584
H23H212.5224
H23H212.3484
H23H211.9084
H23H211.7034
H24H223.2694
H24H222.9124
H24H222.8134
H24H222.6584
H24H222.5224
H24H222.3484
H24H221.9084
H24H221.7034
H21H233.2694
H21H232.9124
H21H232.8134
H21H232.6584
H21H232.5224
H21H232.3484
H21H231.9084
H21H231.7034
H22H243.2694
H22H242.9124
H22H242.8134
H22H242.6584
H22H242.5224
H22H242.3484
H22H241.9084
H22H241.7034
H29H254.2704
H29H253.7604
H29H253.6464
H25H263.2694
H25H262.9124
H25H262.8134
H25H262.6584
H25H262.5224
H25H262.3484
H25H261.9084
H25H261.7034
H26H273.2694
H26H272.9124
H26H272.8134
H26H272.6584
H26H272.5224
H26H272.3484
H26H271.9084
H26H271.7034
H30H284.2704
H30H283.7604
H30H283.6464
H27H293.2694
H27H292.9124
H27H292.8134
H27H292.6584
H27H292.5224
H27H292.3484
H27H291.9084
H27H291.7034
H28H303.2694
H28H302.9124
H28H302.8134
H28H302.6584
H28H302.5224
H28H302.3484
H28H301.9084
H28H301.7034

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000931_1.zip

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

Array spectrum for 2
Download time domain data: bmse000931_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000931_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000931_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000931_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000931_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: bmse000931_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000931_8.zip

9: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000931_9.zip

10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000931_10.zip