Table S1. Identified metabolites in rats plasma
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1 Electronic Supplementary Material (ESI) for Molecular BioSystems. This journal is The Royal Society of Chemistry 2015 Table S1. Identified metabolites in rats plasma NO Retention time Metabolites Level of identification metabolic pathway Cyclopentanecarboxylic acid Monocarboxylic energy metabolism Propanedioic acid Di-carboxylic energy metabolism Lactic acid Monocarboxylic energy metabolism Alanine Amino and Amino acid hydroxybutyrate Hydroxyl energy metabolism Cystathionine Amino and Amino acid hydroxybutyrate Hydroxyl energy metabolism Hydroxycyclohexylacetic acid Hydroxyl energy metabolism L-Valine Amino and Amino acid Glycine Amino and Amino acid Ethanedioic acid Monocarboxylic Energy Butanoic acid Monocarboxylic Energy Ethanamine Other N-compounds Hexenoic acid Di-carboxylic Energy Benzoic acid Monocarboxylic Energy d-(+)-glyceric acid Hydroxyl leucine Amino and Amino acid Hydroxybutyric acid Hydroxyl Carbon metabolism Gluconic acid Hexanoic acid Monocarboxylic Energy Propanedioic acid Monocarboxylic Energy Isobutyric acid Monocarboxylic Energy Aspartic acid Amino and Amino acid Methionnine Amino and Amino acid H-Indole-2,3-dione D-Erythro-Pentonic acid Oxiranecarboxylic acid Monocarboxylic ,3 Propanediol Polyols ,3-Octanediol Polyols O-Methyl-d-gluconic aciddimethylamide α-d-galactopyranoside Cyclohexanecarboxylic acid Monocarboxylic Energy Methoxyacetic acid Monocarboxylic Energy glycylglycine Amino and Amino acid Glycylvaline Amino and Amino acid Urea Other N-compounds Amino acid D-Ribonic acid
2 Methy6-O-1-methylpropyl-á-d-galactopyranoside Aminobutyric acid Other N-compounds Energy Methoxyacetic acid Monocarboxylic Energy Internal standard docosanoic α-d-glucopyranoside ,5-di-tert-Butyl-4-hydroxyphenylpropionic acid Hydroxyl Energy Methoxyacetic acid, 4-tetradecyl ester Fatty acid methyl ester lipid α-n-acetyl neuraminic acid α-dl-lyxopyranose α-d-glucopyranoside α-dl-arabinopyranose Tetradecanoic acid D-Mannitol D-glucose α-d-glucopyranoside, methyl N-Acetyl glucosamine Glucitol Arabinitol linoleic acid Fatty acid methyl ester ,12-(Z,Z)-Octadecadienoic acid Hexadecanoic acid, (E)-9- Hexadecenoic acid scyllo-inositol Polyols (Inositol metabolism) (9E)-9-octadecenoate Fatty acid methyl ester Dodecenedioic acid
3 cis-Octadecenoic acid ,12-Octadecadienoic acid (Z,Z) Hexadecanoic acid ,12,15-Octadecatrienoic acid oleic acid Long chain monocarboxylic arachidonate Fatty acid methyl ester Hydroxyspirost-8-en-11-one Sterols Docosahexaenoic Acid Octadecenoic acid (Z)-, methyl ester Cholesterol Sterols (Sterol/Steroid) Table S2 Identified metabolites in liver tissue homogenate NO Retention time Metabolites Level of identification metabolic pathway Cyclopentanecarboxylic acid Monocarboxylic Energy leucine Amino and Amino isoleucine Amino and Amino Alanine Amino and Amino lactic acid Di-carboxylic Energy Cystathionine Amino and Amino d-(+)-glyceric acid Hydroxyl Energy Propanoic acid Monocarboxylic Energy Hexanoic acid Monocarboxylic Energy Ethanedioic acid Monocarboxylic Energy α-d-galactopyranoside Propanoic acid Monocarboxylic Energy Benzenepropanoic acid Monocarboxylic Energy Threonic acid Glycine Amino and Amino Hydroxybutyric acid Hydroxyl Energy à-d-galactopyranoside O-Methyl-d-gluconic acid H-Oxireno[3,4]cyclopenta[1,2-c]furan-2-one unknow unknow d-(+)-glyceric acid Glyceric acid ,2,4-Butanetriol Polyols Oxiranecarboxylic acid Monocarboxylic
4 Cystathionine Amino and Amino and Glycerol Polyols ,2-Dimethyl-1-pentamethyldisilanyloxypropane α-d-galactopyranoside s d-(+)-glyceric acid Monocarboxylic s ,3-Octanediol Polyols s Cyclopentene alkyls α-d-galactopyranoside s Ethyl-3-hydroxypropionic acid Hydroxyl Energy Adipic acid Di-carboxylic Energy Proline Amino and Amino ,3 Propanediol Polyols Adipic acid Di-carboxylic serine Amino and Amino α-d-galactopyranoside s Benzeneacetic acid Monocarboxylic Energy Tetradecanol Long chain alcohols Benzeneacetic acid Monocarboxylic Energy Tetradecanol Long chain alcohols Arabinitol s á-n-acetylneuraminic acid s Glutamic acid Amino and Amino internal standard Propanol alcohol Butanedioic acid α-d-galactopyranoside Di-carboxylic Cyclohexanecarboxylic acid Monocarboxylic Monocarboxylic Malic acid Di-carboxylic Energy Erythro-Pentitol Pentadecanol Long chain alcohols N-Acetyl glucosamine Ribonic acid Keto-l-gluconic acid D-Glucose mannose Galactose à-d-glucopyranoside Glucopyranose á-n-acetylneuraminic acid, Hexadecanoic acid Fatty acid methyl ester Inositol Polyols Monolinoleoylglycerol Fatty acid methyl ester
5 ,12,15-Octadecatrienoic acid (9Z,12Z)-9,12-Octadecadienoic acid (E)-9-Octadecenoic acid oleic acid Octadecanoic acid ,12-Octadecadienoic acid, methyl ester Fatty acid methyl ester Unknown Methyl (9E,12E,15E)-9,12,15-octadecatrienoate Fatty acid methyl ester arachidonate Cholesterol Sterols Table S3 Identified metabolites in rats lung NO Retention time Metabolites Level of identification metabolic pathway Lactic acid Monocarboxylic Energy L-Alanine Amino and Amino ,2,4-Butanetriol Polyols Krebs cycle Hydroxybutyric acid Hydroxyl Energy d-(+)-glyceric acid Pentanoic acid Monocarboxylic Energy Ethanedioic acid Monocarboxylic Energy Hexanoic acid Monocarboxylic Energy Propanoic acid Monocarboxylic Energy Benzenepropanoic acid Monocarboxylic Energy Cystathionine Amino and Amino Methyl- pentanoic acid Monocarboxylic Energy D-Valine Amino and Amino Methylsuccinic acid Di-carboxylic Energy O-Methyl-d-gluconic acid s l-felinine Amino and Amino acid Cystathionine Amino and Amino acid Glycerol Polyols Malonic acid Di-carboxylic Energy Methylsuccinic acid Di-carboxylic Krebs cycle Glutaric acid Di-carboxylic Energy Trans-trans-Muconic acid Di-carboxylic Energy Cyclopentene alkyls Energy Ethyl-3-hydroxypropionic acid Hydroxyl Energy
6 Glycerol- 3-phosphate Polyols Proline Amino and Amino acid Adipic acid Di-carboxylic Energy serine Amino and Amino acid Butanedioic acid Di-carboxylic Energy malic acid Di-carboxylic Energy Benzeneacetic acid Di-carboxylic Energy Glutamic acid Amino and Amino acid Internal standard docosanoic α-d-glucopyranoside α-d-galactopyranoside Butanedioic acid Di-carboxylic Energy Malic acid Di-carboxylic Energy Hydroxyhexanoic acid Hydroxyl Energy Hexanedioic acid Di-carboxylic Energy α-d-galactopyranose Ribonic acid Ribitol D-Ribo-Hexitol hydroxybenzene propanoic acid Hydroxyl Energy Keto-l-gluconic acid D-Mannitol glucose mannose Galactose Galactaric acid linoleic acid Fatty acid ester Tetradecanoic acid Octadecanol Long chain alcohols Unkonw (9E)-9-octadecenoate Fatty acid ester Hexadecanoic acid (9Z,12Z)-9,12-Octadecadienoic acid (E)-9-Octadecenoic acid ,12,15-Octadecatrienoic acid oleic acid cis-Octadecenoic acid (Long chain (Long chain (Long chain (Long chain (Long chain (Long chain Unknown - -
7 Docosahexaenoic Acid (Long chain Methyl cis-9-octadecenoate Fatty acid ester arachidonate Cholesterol t Sterols (Long chain (Sterol/Steroid) Table S4. Pathways associated with the inflammation 201 FDR features at (q=0.05) identified using the MetScape plugin in Cytoscape Arachidonic acid metabolism Bile acid biosynthesis Butanoate metabolism De novo fatty acid biosynthesis Di-unsaturated fatty acid beta-oxidation Fructose and mannose metabolism Galactose metabolism Glycerophospholipid metabolism Glycine, serine, alanine and threonine metabolism Glycolysis and Gluconeogenesis Glycosphingolipid metabolism Histidine metabolism Leukotriene metabolism Linoleate metabolism Lysine metabolism Omega-3 fatty acid metabolism Omega-6 fatty acid metabolism Pentose phosphate pathway Phosphatidylinositol phosphate metabolism Phytanic acid peroxisomal oxidation Porphyrin metabolism Propanoate metabolism Prostaglandin formation from arachidonate Purine metabolism Saturated fatty beta-oxidation TCA cycle Urea cycle and metabolism of arginine, proline, glutamate, aspartate and asparagine Valine, leucine and isoleucine degradation Vitamin B9 (folate) metabolism
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