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Metabolome from METLIN into Mapman

Metabolome from METLIN into Mapman
Answer
11/12/12 5:43 PM
Dear Colleague,
Recently I have analyzed my metabolome data with XCMS software and the characterized metabolites has been assigned with an accession name froem METLIN database as...M465T1_6, M911T1_4, M765T5_2, M743T1_1, M223T1_1... I would like to know if there is a way to integrate these data into Mapman metabolite map (metabolism overview).
Thanks in advance for your help
Rosa

RE: Metabolome from METLIN into Mapman
Answer
11/12/12 10:19 PM as a reply to Rosa m Rivero.
Dear Rosa,

you can just edit the mapping file, and add these metabolite identifiers there.
For example you can add the items
As an example
'1.3.1007' 'PS.calvin cycle' 'fructose-6-p' 'cell wall synthesis.cellulose synthesis; major CHO metabolism.synthesis.sucrose; major CHO metabolism.synthesis.starch; calvin cycle; glycolysis; OPP.oxidative PP' M
States that something called "fructose-6-p" is a "M"etabolite and can be addressed via 1.3.1007 on the map or in the group 1.3 and 1 (via inheritance)
Thus if you wanted to integrate medlin id 146 (http://metlin.scripps.edu/metabo_info.php?molid=146)
you coudl add the line
'1.3.1007' 'PS.calvin cycle' 'MID_146' 'cell wall synthesis.cellulose synthesis; major CHO metabolism.synthesis.sucrose; major CHO metabolism.synthesis.starch; calvin cycle; glycolysis; OPP.oxidative PP' M

You would best also use the metabolic data overview.

Alternatively you can transfer you ids into mapman names....

If this is completely free (as in open source) and sees more usage we might also do it here. Also if you provided such a file we would be more than happy to make it available here and credit you on thwe website for it

Best Wishes,
Björn

RE: Metabolome from METLIN into Mapman
Answer
11/13/12 11:35 AM as a reply to Björn Usadel.
Thank you!! I will try it... I´ll keep you posted!