Cytidine-5'-monophosphate (C9H14N3O8P)
BMRB entry bmse000311
Entry DOI: doi:10.13018/BMSE000311
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Samira Hamoudi, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000311.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000311.molAll files for
bmse000311Time Domain Data:
bmse000311.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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C6 | C13 | 72.38 | 1 |
| C7 | C14 | 77.0616 | 1 |
| C4 | C15 | 86.2398 | 1 |
| C8 | C16 | 91.8494 | 1 |
| C3 | C17 | 65.6502 | 1 |
| C2 | C18 | 144.5966 | 1 |
| C9 | C19 | 160.5539 | 1 |
| C1 | C20 | 99.3758 | 1 |
| C5 | C21 | 168.9094 | 1 |
| H27 | H22 | 4.3364 | 4 |
| H28 | H23 | 4.3364 | 4 |
| H26 | H24 | 4.2384 | 1 |
| H29 | H25 | 5.996 | 1 |
| H24 | H26 | 4.050 | 2 |
| H25 | H27 | 3.969 | 2 |
| H23 | H30 | 8.0844 | 1 |
| H22 | H31 | 6.123 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000311/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000311/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000311/nmr/set01/spectra/1H_13C_HMBC.png)