Kanamycin (C18H36N4O11)
BMRB entry bmse000201
Entry DOI: doi:10.13018/BMSE000201
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Benjamin Preyre, Mark E. Anderson, Catherine Bougault, John L. Markley
NMR-STAR file:
bmse000201.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000201.molAll files for
bmse000201Time Domain Data:
bmse000201.zipSample 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 |
|---|---|---|---|
| C15 | C1 | 87.47 | 4 |
| C14 | C2 | 76.15 | 1 |
| C4 | C4 | 50.886 | 4 |
| C16 | C5 | 82.376 | 4 |
| C17 | C7 | 103.106 | 1 |
| C1 | C8 | 32.427 | 1 |
| C5 | C11 | 52.838 | 4 |
| C11 | C13 | 75.297 | 1 |
| C18 | C14 | 99.391 | 1 |
| C7 | C16 | 71.237 | 1 |
| C8 | C17 | 68.491 | 1 |
| C13 | C20 | 73.736 | 1 |
| C9 | C21 | 57.712 | 1 |
| C3 | C22 | 62.596 | 1 |
| C6 | C24 | 71.349 | 1 |
| C12 | C25 | 74.826 | 1 |
| C10 | C29 | 73.843 | 1 |
| C2 | C30 | 43.202 | 1 |
| H51 | H34 | 3.702 | 4 |
| H50 | H35 | 3.895 | 1 |
| H40 | H36 | 3.765 | 4 |
| H52 | H37 | 3.787 | 4 |
| H53 | H39 | 5.146 | 1 |
| H34 | H40 | 2.393 | 2 |
| H35 | H41 | 1.798 | 2 |
| H41 | H44 | 3.431 | 4 |
| H47 | H45 | 3.954 | 1 |
| H54 | H46 | 5.609 | 1 |
| H43 | H49 | 3.929 | 1 |
| H44 | H50 | 3.686 | 1 |
| H49 | H52 | 3.660 | 1 |
| H45 | H53 | 3.46 | 1 |
| H38 | H54 | 3.810 | 2 |
| H39 | H55 | 3.810 | 2 |
| H42 | H58 | 4.012 | 1 |
| H48 | H59 | 3.780 | 1 |
| H46 | H63 | 3.365 | 4 |
| H36 | H64 | 3.457 | 1 |
| H37 | H65 | 3.155 | 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
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
