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Topic: METLIN ID  (Read 2157 times) previous topic - next topic

METLIN ID

Problem: I'm working with two sets of metabolites and I need to get the intersection between the two.
Set #1: ChEBI ID
Set #2: METLIN ID (from XCMS online)

(1) is there a way to get the mapping of METLIN ID to ChEBI ID in an API or table format ? Python preferred but can make R work need be.

Basically I have a list of METLIN ID and I have a list of ChEBI ID. I either need to convert the ChEBI ID to METLIN ID or vice versa to get an intersection?
I rather not do the molecule name translation services online because of capitalization etc issues/programatically that'll be tough with what I'm doing.

(2) is there a way to get a list of the METLIN ID corresponding to each molecule in the database? I know when I individually search a molecule based on molecular weight using 'Simple Search' there's a METLIN ID corresponding to each metabolite, but I want the full list.

thank you!