Lactose (C12H22O11)

View large 3D structure

BMRB entry bmse000065

Entry DOI: doi:10.13018/BMSE000065
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000065.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000065.mol

All files for

bmse000065

Time Domain Data:

bmse000065.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C12C1105.6391
C12C1105.6241
C9C281.1124
C9C280.9784
C9C278.0914
C9C277.5344
C9C277.0884
C9C276.5324
C9C275.2314
C9C274.1434
C9C273.8704
C9C273.6914
C9C272.8384
C9C271.2784
C6C381.1124
C6C380.9784
C6C378.0914
C6C377.5344
C6C377.0884
C6C376.5324
C6C375.2314
C6C374.1434
C6C373.8704
C6C373.6914
C6C372.8384
C6C371.2784
C5C481.1124
C5C480.9784
C5C478.0914
C5C477.5344
C5C477.0884
C5C476.5324
C5C475.2314
C5C474.1434
C5C473.8704
C5C473.6914
C5C472.8384
C5C471.2784
C3C581.1124
C3C580.9784
C3C578.0914
C3C577.5344
C3C577.0884
C3C576.5324
C3C575.2314
C3C574.1434
C3C573.8704
C3C573.6914
C3C572.8384
C3C571.2784
C1C662.7914
C1C662.6564
C1C663.7814
C11C1398.4831
C11C1394.5491
C8C1481.1124
C8C1480.9784
C8C1478.0914
C8C1477.5344
C8C1477.0884
C8C1476.5324
C8C1475.2314
C8C1474.1434
C8C1473.8704
C8C1473.6914
C8C1472.8384
C8C1471.2784
C7C1581.1124
C7C1580.9784
C7C1578.0914
C7C1577.5344
C7C1577.0884
C7C1576.5324
C7C1575.2314
C7C1574.1434
C7C1573.8704
C7C1573.6914
C7C1572.8384
C7C1571.2784
C10C1681.1124
C10C1680.9784
C10C1678.0914
C10C1677.5344
C10C1677.0884
C10C1676.5324
C10C1675.2314
C10C1674.1434
C10C1673.8704
C10C1673.6914
C10C1672.8384
C10C1671.2784
C4C1781.1124
C4C1780.9784
C4C1778.0914
C4C1777.5344
C4C1777.0884
C4C1776.5324
C4C1775.2314
C4C1774.1434
C4C1773.8704
C4C1773.6914
C4C1772.8384
C4C1771.2784
C2C1862.7914
C2C1862.6564
C2C1863.7814
H37H244.4471
H34H253.9414
H34H253.8084
H34H253.6634
H34H253.5644
H31H263.9414
H31H263.8084
H31H263.6634
H31H263.5644
H30H273.9414
H30H273.8084
H30H273.6634
H30H273.5644
H28H283.9414
H28H283.8084
H28H283.6634
H28H283.5644
H24H293.9414
H24H293.8084
H24H293.6634
H24H293.5644
H25H303.9414
H25H303.8084
H25H303.6634
H25H303.5644
H36H355.2211
H36H354.6631
H33H363.9414
H33H363.8084
H33H363.6634
H33H363.5644
H32H373.9414
H32H373.8084
H32H373.6634
H32H373.5644
H35H383.9414
H35H383.8084
H35H383.6634
H35H383.5644
H29H393.9414
H29H393.8084
H29H393.6634
H29H393.5644
H26H403.9414
H26H403.8084
H26H403.6634
H26H403.5644
H27H413.9414
H27H413.8084
H27H413.6634
H27H413.5644

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000065_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000065_2.zip

3: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000065_3.zip

4: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000065_4.zip

5: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000065_5.zip

6: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000065_6.zip

7: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000065_7.zip

8: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000065_8.zip

9: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000065_9.zip

10: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000065_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 11
Download time domain data: bmse000065_11.zip