CTP (C9H16N3O14P3)
BMRB entry bmse000277
Entry DOI: doi:10.13018/BMSE000277
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000277.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000277.molAll files for
bmse000277Time Domain Data:
bmse000277.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | C21 | 67.241 | 1 |
| C8 | C22 | 85.452 | 1 |
| C4 | C23 | 91.807 | 1 |
| C7 | C24 | 71.791 | 1 |
| C6 | C25 | 76.9 | 1 |
| C9 | C26 | 160.521 | 1 |
| C5 | C27 | 168.899 | 1 |
| C2 | C28 | 144.23 | 1 |
| C1 | C29 | 99.352 | 1 |
| H32 | H38 | 4.262 | 1 |
| H33 | H39 | 4.262 | 1 |
| H37 | H40 | 4.262 | 1 |
| H34 | H41 | 5.994 | 1 |
| H36 | H42 | 4.42 | 1 |
| H35 | H43 | 4.334 | 1 |
| H31 | H44 | 7.973 | 1 |
| H30 | H45 | 6.128 | 1 |
NMR experiments
1: 1D 1H
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: saturationmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
