Supplementary material for the Paper
"Metabolomics Analysis: Finding Out Metabolic Building Blocks"

This page contains the supplementary material for the paper submitted to the journal PLOS ONE

Authors:

• Ricardo Alberich¹
• José A. Castro²
• Mercè Llabrés¹
• Pere Palmer-Rodríguez¹

Supplementary material

Description	Glycolysis	Purine Metabolism
A file containing for every MBBs the reactions it has and also the amount of species of each kingdom which have it.
A file with the distances between MBBs based on the following distance measure: $d({\mathrm{MBB}}_1,{\mathrm{MBB}}_2)=\sqrt{1-{\left(S_{\mathrm{mbb}}({\mathrm{MBB}}_1,{\mathrm{MBB}}_2)\right)}^2}$
A dendrogram obtained with the hierarchical clustering of the mDAGs using the previous distance.
A dendrogram obtained with the hierarchical clustering of the MBBs using the previous distance.
A file with the following information for every organism studied: the metabolic DAG and the reactions it has, and the MBB that build the m-DAG.
A file with the distances between m-DAG based on the similarity measure described in the paper.
A summary file with the amount of species of each kingdom which have every m-DAG.
An image of the m-DAG for the kingdom of Animalia
An image of the m-DAG for the kingdom of Plantae
An image of the m-DAG for the kingdom of Fungi
An image of the m-DAG for the kingdom of Protista
An image of the m-DAG for the kingdom of Bacteriae
An image of the m-DAG for the kingdom of Archaea
A worksheet combining the MBB related files, for an easy and human readable access.
A worksheet combining the m-DAG related files, for an easy and human readable access.
A web page allowing the access to all our results, still in development

Note about the file formats:

File format	Comment
	These are .csv files with headers in the first row. The alphanumeric values are surrounded with double quotes.
	The image has a vectorial format so it can be resized to see the small details without loss of quality.
	These are .xlsx open XML format spreadsheet files.