UMP (C9H13N2O9P)
BMRB entry bmse000280
Entry DOI: doi:10.13018/BMSE000280
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000280.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000280.molAll files for
bmse000280Time Domain Data:
bmse000280.zipView 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: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | C13 | 65.913 | 1 |
| C3 | C13 | 65.868 | 1 |
| C8 | C14 | 91.006 | 1 |
| C4 | C15 | 86.920 | 1 |
| C4 | C15 | 86.833 | 1 |
| C7 | C16 | 76.664 | 1 |
| C6 | C17 | 72.773 | 1 |
| C9 | C18 | 154.658 | 1 |
| C5 | C19 | 169.084 | 1 |
| C2 | C20 | 144.828 | 1 |
| C1 | C21 | 105.392 | 1 |
| H24 | H27 | 3.995 | 1 |
| H25 | H28 | 3.995 | 1 |
| H29 | H29 | 5.985 | 4 |
| H26 | H30 | 4.255 | 1 |
| H28 | H31 | 4.414 | 1 |
| H27 | H32 | 4.348 | 1 |
| H23 | H33 | 8.109 | 1 |
| H22 | H34 | 5.985 | 4 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000280/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000280/nmr/set01/spectra/1H_13C_HSQC.png)