BMRB Logo

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules

Search Archive Validation Tools Deposit Data NMR Statistics Spectroscopists' Corner Programmers' Corner Home
Site Map FTP Access Structural Genomics
and other "omics"
Metabolomics Educational Outreach NMR Data Formats Useful NMR Links

Metabolomics

What is Metabolomics?

2,3-Diphospho-D-glyceric acid, bmse000002

Search BMRB Metabolomics

Search for:
Enter search:
Experimental entries Theoretical entries
Select the top matches
or upload batch file:
Search:

Search by mass
Enter mass(es):
Experimental entries Theoretical entries
Tolerance: ± ppm dalton
Isotopic composition:
Average weight
Natural composition (12C 14N)
13C labeled 15N labeled 13C and 15N labeled
or upload batch file:
Search:

Search by structure

Sketch Structure

Since it is the most unique, basing a search on the InChi string is most reliable.

Search:

Solvent and field strength

Specify solvent:
D2O
CDCl3
acetone
acetone/D2O
DMSO
methanol
ethanol
benzene
Specify field strength:
250
360
400
500
600
700

Help

Metabolomics data hosted at BMRB

Other Metabolomics resources at BMRB


Acknowledgments

Images and chemical information were obtained from PubChem, except for the structures from the USDA NMR Database of Lignin and Cell Wall Model Compounds, which were produced there.