Comprehensive Metabolomics Profiling Analysis

In total, 363 different metabolites were detected. The metabolomics dataset contains 18 amino acids, nine reducing mono-, di- and oligosaccharides (abbreviated as Hn for n-hexose, dH for desoxyhexose, UA for uronic acid, HNAc for N-acetylglucosamine, P for Pentose, NANA for N-acetylneuraminic-acid), seven biogenic amines, five prostaglandins, arachidonic acid (AA), docosahexaenoic acid (DHA), free carnitine (C0), 28 acylcarnitines (Cx:y), hydroxylacylcarnitines (C(OH)x:y), and dicarboxylacylcarnitines (Cx:y-DC), 85 ceramides (Cer), glucosylceramides (GlcCer), different sphingomyelins (SMx:y) and sphingomyelin-derivatives, such as N-hydroxyldicarboacyloylsphingosyl-phosphocholine (SM(OH,COOH)x:y) and N-hydroxylacyloylsphingosyl-phosphocholine (SM(OH)x:y). In addition, 208 phospholipids were detected, including different glycero-phosphatidic acids (PA), glycero-phosphatidylcholines (PC), glycero-phosphatidylethanolamines (PE), phosphatidylglycerols (PG), glycero-phosphatidylinositols (PI), glycero-phosphatidylinositol-bisphosphates (PIP2), and glycero-phosphatidylserines (PS). Glycerophospholipids are further differentiated with respect to the presence of ester (a) and ether (e) bonds in the glycerol moiety, where two letters (aa = diacyl, ae = acyl-alkyl, ee = dialkyl) denote that two glycerol positions are bound to a fatty acid residue, while a single letter (a = acyl or e = alkyl) indicates the presence of a single fatty acid residue. Lipid side chain composition is abbreviated as Cx:y, where x denotes the number of carbons in the side chain and y the number of double bonds. E.g. “PC ae C33:1” denotes a plasmalogen/plasmenogen phosphatidylcholine with 33 carbons in the two fatty acid side chains and a single double bond in one of them. The precise position of the double bonds and the distribution of the carbon atoms in different fatty acid side chains cannot be determined with this technology. In some cases, the mapping of metabolite names to individual masses can be ambiguous. For example, stereo-chemical differences are not always discernible, neither are isobaric fragments. In such cases, possible alternative assignments are indicated.

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Gieger C., Geistlinger L., Altmaier E., Hrabé de Angelis M., Kronenberg F., Meitinger T., Mewes H.W., Wichmann H.E., Weinberger K.M., Adamski J., Illig T, & Suhre K. (2008). Genetics Meets Metabolomics: A Genome-Wide Association Study of Metabolite Profiles in Human Serum. PLoS Genetics, 4(11), e1000282.

Publication 2008

Acetylglucosamine Acetylneuraminic acid n Acylcarnitines Amino acids Arachidonic acid Biogenic amines Carbon Carnitine Ceramides Derivatives Docosahexaenoic acid Ester Ether Fatty acid Glucosylceramides Glycerol Glycerophospholipids Hexose Lipid Oligosaccharides Pentose Phosphatidic acids Phosphatidylcholine Phosphatidylethanolamines Phosphatidylglycerols Phosphatidylinositol Phosphatidylserines Phosphocholine Phospholipids Plasmalogen Prostaglandins Single bond Sphingomyelin Uronic acid

Corresponding Organization : Institute of Bioinformatics and Systems Biology

Other organizations : Zimmer Biomet (Germany), Weihenstephan-Triesdorf University of Applied Sciences, Technical University of Munich, Innsbruck Medical University, Klinikum rechts der Isar, Biocrates Life Sciences (Austria)

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Variable analysis

independent variables

Not explicitly mentioned

dependent variables

Metabolite concentrations, as 363 different metabolites were detected

control variables

Not explicitly mentioned

controls

No positive or negative controls were specified.

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