Uric Acid (C5H4N4O3)
BMRB entry bmse000126
Entry DOI: doi:10.13018/BMSE000126
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000126.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000126.molAll files for
bmse000126Time Domain Data:
bmse000126.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | C8 | 156.496 | 4 |
| C2 | C8 | 104.578 | 4 |
| C1 | C9 | 156.496 | 4 |
| C1 | C9 | 104.578 | 4 |
| C3 | C10 | 167.665 | 4 |
| C3 | C10 | 165.339 | 4 |
| C3 | C10 | 162.215 | 4 |
| C4 | C11 | 167.665 | 4 |
| C4 | C11 | 165.339 | 4 |
| C4 | C11 | 162.215 | 4 |
| C5 | C12 | 167.665 | 4 |
| C5 | C12 | 165.339 | 4 |
| C5 | C12 | 162.215 | 4 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 12.0
Spectrometer: Bruker DMX - 400MHz