Inosine 5'-monophosphate (C10H13N4O8P)
BMRB entry bmse000175
Entry DOI: doi:10.13018/BMSE000175
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000175.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000175.molAll files for
bmse000175Time Domain Data:
bmse000175.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 |
|---|---|---|---|
| C2 | C1 | 149.099 | 4 |
| C3 | C2 | 142.649 | 4 |
| C1 | C3 | 66.154 | 1 |
| C5 | C4 | 126.225 | 1 |
| C8 | C5 | 151.479 | 1 |
| C9 | C6 | 161.422 | 1 |
| C4 | C7 | 87.55 | 1 |
| C6 | C8 | 73.338 | 1 |
| C7 | C9 | 77.474 | 1 |
| C10 | C10 | 90.051 | 1 |
| H26 | H24 | 8.187 | 4 |
| H27 | H25 | 8.554 | 4 |
| H24 | H26 | 4.033 | 1 |
| H25 | H27 | 4.033 | 1 |
| H28 | H28 | 4.373 | 1 |
| H29 | H29 | 4.517 | 1 |
| H30 | H30 | 4.773 | 1 |
| H31 | H31 | 6.115 | 1 |
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/bmse000175/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/bmse000175/nmr/set01/spectra/1H_13C_HSQC.png)