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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