Table 1 Diagnostic biomarkers identified by 1H NMR and comparison of their levels in the HS and HS-free groups.

From: Integrated Metabolomics Study of the Milk of Heat-stressed Lactating Dairy Cows

Metabolic pathway

Metabolite

Chemical shift (ppm)

Assignment a

P-value b

FC c

Carbohydrate

Lactate

1.33

CH3 (d)

<0.001

1.46

Carbohydrate

Pyruvate

2.41

CH3 (s)

<0.002

1.32

Carbohydrate

Citrate

2.74

CH2 (d)

<0.001

1.79

Carbohydrate

Galactose-1-phosphate

5.51

CH (dd)

<0.001

1.27

Carbohydrate

Fumarate

6.53

2 × CH (s)

<0.001

0.78

Amino acid

Isoleucine

1.00

CH3 (d)

<0.001

0.88

Amino acid

Creatine

3.03

CH3 (s)

<0.001

1.59

Amino acid

Phosphocreatine

3.05

CH3 (s)

<0.001

0.69

Amino acid

Glycine

3.57

CH2 (s)

<0.001

0.83

Amino acid

Proline

4.13

CH (m)

<0.001

0.81

Amino acid

Orotate

6.20

CH (s)

<0.001

0.72

Lipid

TC

0.68

18 × CH3 (s)

<0.001

0.91

Lipid

Butyrate

0.91

CH3 (t)

<0.001

1.23

Lipid

FA

1.26

n × CH2 (s)

<0.001

1.14

Lipid

N-acetylsugar A

2.04

CH3 (s)

<0.001

0.86

Lipid

N-acetylsugar B

2.06

CH3 (s)

<0.001

0.71

Lipid

N-acetylsugar C

2.07

CH3 (s)

<0.001

0.68

Lipid

Acetone

2.24

2 × CH3 (s)

<0.001

1.42

Lipid

β-Hydroxybutyrate

2.36

CH2 (m)

<0.001

1.38

Lipid

PUFA

2.79

n × CH (t)

<0.001

1.08

Lipid

Phosphorylcholine

3.22

3 × CH3 (s)

<0.001

0.84

Lipid

Glycerophosphoholine

3.23

3 × CH3 (s)

<0.001

0.89

Lipid

UFA

5.34

n × CH (m)

<0.02

1.18

Lipid

N-acetylsugar D

5.41

CH (m)

<0.01

0.85

Gut microbiome-derived metabolism

Trimethylamine

2.85

3 × CH3 (s)

<0.001

0.52

  1. ad, doublet; s, singlet; dd, double doublet, m, multiplet; t, triplet; q, quartet.
  2. bP-value, independent t-test for HS-free versus HS.
  3. cFC, fold change in the metabolite concentration (HS/HS-free).
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