Metabolomic publications and databases use different database identifiers or even trivial names which disable queries across databases or between studies. The best way to annotate metabolites is by chemical structures, encoded by the International Chemical Identifier code (InChI) or InChIKey.
Source text:
(Wohlgemuth et al., 2010) The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reports. Bioinformatics.
Provides access to chemical structures, properties, and associated information.…
Provides access to chemical structures, properties, and associated information. ChemSpider is a database which allows user to search by chemical name or by chemical structure. The database provides…
A web-based Chemical Translation Service that performs batch conversions of the…
A web-based Chemical Translation Service that performs batch conversions of the most common compound identifiers, including CAS, CHEBI, compound formulas, Human Metabolome Database HMDB, InChI,…
The discovery platform has been developed to reduce barriers to drug discovery…
The discovery platform has been developed to reduce barriers to drug discovery in industry, academia and for small businesses. You can now access the integrated pharmacological data via the Open…
Enables its users to match either a single name of a chemical compound or a…
Enables its users to match either a single name of a chemical compound or a whole list of names against reference databases, even when the notations are different. This matching is solely done on the…
This service works as a resolver for different chemical structure identifiers…
This service works as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. It can help…
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