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Table 2 Summary of OPLS-DA models, metabolites, resonances, concentrations and functions. Resonance key s; singlet, d; doublet, t; triplet, q; quartet. Metabolites referenced to Human Metabolome Database (HMDB)

From: Bugs and drugs: a systems biology approach to characterising the effect of moxidectin on the horse’s faecal microbiome

  Q2Y & Permutation P values Metabolite 1H Resonance (δ) Correlation coefficient (R2) Predicted Concentration
(Mean & SD)
(μM)
Concentration Significance Function & reference to Human Metabolome Database
Fermentations 16 h mox v control 0.48
P = 0.01
Alanine 1.46 (d) −0.8 Mox
4.57 ± 0.82
Control
5.14 ± 0.15
P = 0.4 Endogenous metabolite. Involved
in urea cycle, Glucose-alanine
cycle & Glycine & serine metabolism HMDB00161
  Ethanol 3.65 (q) −0.7 4.24 ± 0.86 5.19 ± 0.33 P = 0.2 Metabolite, glucose and D-lactate metabolism HMDB0000108
Fermentations mox 16 h v 160 h 0.77
P = 0.01
Formate 8.46 (s) − 0.95 16 h
16.38 ± 14.08
160 h
5.42 ± 8.64
P = 0.31 Microbial metabolite. Acetate & Folate metabolism.
Responsible for metabolic acidosis HMDB0000142
  Ethanol 1.2 (t) −0.95 3.05 ± 0.59 1.87 ± 1.45 P = 0.2 Metabolite, glucose and D-lactate metabolism HMDB0000108
  Maltose 3.41 (t) −0.85 1.14 ± 0.22 0.7 ± 0.54 P = 0.25 Endogenous metabolite. Starch & sucrose metabolism HMDB00163