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Metabolite

Keiron O'Shea edited this page Sep 6, 2017 · 11 revisions

As noted previously, both the get_metabolites() and mass_search() methods returns a list of Metabolite objects. If you already know the InChIKey of the metabolite you're interested in - it is possible to instantiate a Metabolite instantly using the from_inchikey method.

from dimedbpy import Metabolite

metabolite = Metabolite.from_inchikey("DOUMFZQKYFQNTF-WUTVXBCWSA-N")

Dictionary interface

For ease of access, Metabolite contains a _record property which represents a Python dictionary that contains all of the data about the Metabolite. Moreover

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