Table 2 Identified differential metabolites between the drug-naive MDD, drug-treatment MDD and health controls

From: Polyunsaturated fatty acids metabolism, purine metabolism and inosine as potential independent diagnostic biomarkers for major depressive disorder in children and adolescents

Metabolites

DN-MDD vs HCs

DT-MDD vs HCs

DT-MDD vs DN-MDD

Pathways

ESI+/−

FC

FDR

VIP

ESI+/−

FC

FDR

VIP

ESI+/−

FC

FDR

VIP

L-Arginine

2.30

<0.001

2.00

2.23

<0.001

1.94

Amino acid metabolism

L-Pyroglutamic acid

+

0.52

<0.001

1.12

+

0.47

<0.001

1.20

Amino acid metabolism

carnitine(10:0)

+

0.61

0.0001

1.04

+

0.61

<0.001

1.02

Beta oxidation of fatty acids

Bilirubin

+

0.62

<0.001

1.02

+

0.59

<0.001

1.10

Bile acid metabolism

Biliverdin

±

0.45

<0.001

1.40

±

0.47

<0.001

1.34

Bile acid metabolism

Chenodeoxycholate

1.95

0.042

1.03

Bile acid metabolism

Taurochenodeoxycholate

1.86

0.037

1.66

Bile acid metabolism

Glycochenodeoxycholate

1.99

0.005

1.42

Bile acid metabolism

Creatine

+

0.65

0.015

1.18

+

0.56

0.006

1.28

Energy metabolism

Creatinine

+

0.37

<0.001

1.75

+

0.35

<0.001

1.82

Energy metabolism

alpha-Linolenic acid

-

0.45

<0.001

2.09

0.50

<0.001

1.90

Fatty acid metabolism

Arachidonic Acid

-

0.69

<0.001

1.06

0.57

<0.001

1.35

Fatty acid metabolism

Azelaic acid

-

16.33

0.002

2.24

18.12

0.003

2.66

Fatty acid metabolism

Capric acid

-

0.58

<0.001

1.49

0.61

0.005

1.26

Fatty acid metabolism

cis-9-Palmitoleic acid

-

0.42

<0.001

2.20

0.45

<0.001

2.02

Fatty acid metabolism

Dodecanoic acid

-

0.48

<0.001

2.01

0.50

0.002

2.03

Fatty acid metabolism

Eicosapentaenoic acid

-

0.61

0.001

1.34

0.45

<0.001

1.63

Fatty acid metabolism

Linoleic acid

-

0.41

<0.001

2.07

0.50

<0.001

1.85

Fatty acid metabolism

Oleic acid

-

0.50

<0.001

1.90

0.53

<0.001

1.72

Fatty acid metabolism

Palmitic acid

-

0.57

<0.001

1.65

0.61

<0.001

1.48

Fatty acid metabolism

LPS(18:3/0:0)

-

1.60

<0.001

1.24

1.67

<0.001

1.38

Lipid metabolism

PC(10:0/14:1)

+

0.03

<0.001

3.29

+

0.02

<0.001

3.41

Lipid metabolism

PC(12:0/22:5)

+

0.03

<0.001

3.29

+

0.02

<0.001

3.36

Lipid metabolism

PC(13:0/22:2)

+

12.07

<0.001

1.40

+

11.52

<0.001

1.40

Lipid metabolism

PC(18:0/0:0)

+

24.53

<0.001

1.27

+

16.61

<0.001

1.23

Lipid metabolism

PC(18:1/0:0)

1.50

<0.001

1.13

 

Lipid metabolism

PC(18:2/24:4)

+

3.14

<0.001

1.10

+

3.09

<0.001

1.09

Lipid metabolism

PC(20:5/0:0)

+

6.01

<0.001

1.40

+

6.69

0.003

1.31

Lipid metabolism

PC(20:5/24:4)

+

0.05

<0.001

3.07

+

0.03

<0.001

3.25

Lipid metabolism

PE(18:1/0:0)

1.54

<0.001

1.11

1.83

<0.001

1.42

Lipid metabolism

PE(18:2/0:0)

1.48

<0.001

1.00

1.61

<0.001

1.23

Lipid metabolism

PA(18:2/0:0)

1.20

0.003

1.72

Lipid metabolism

PC(16:1/22:6)

+

1.48

0.030

2.09

Lipid metabolism

PC(18:4/0:0)

+

1.15

0.045

1.10

Lipid metabolism

PC(22:5/0:0)

+

1.36

0.030

1.71

Lipid metabolism

PE(20:4/0:0)

+

1.31

0.043

1.98

Lipid metabolism

Adenosine

+

0.09

0.015

2.06

+

0.06

0.047

2.36

+

0.72

0.039

2.15

Purine metabolism

Inosine

±

0.02

<0.001

3.85

+

0.21

<0.001

3.41

+

10.83

0.030

3.02

Purine metabolism

Hypoxanthine

0.22

<0.001

3.56

0.52

0.006

2.91

Purine metabolism

Betaine

+

0.67

<0.001

1.16

+

0.68

<0.001

1.13

Other

D-Allose

1.77

<0.001

1.42

1.80

<0.001

1.52

Other

Glycyl-L-leucine

+

9.89

<0.001

1.39

+

15.53

<0.001

1.44

Other

  1. DN-MDD drug-naive major depressive disorder, DT-MDD drug-treated major depressive disorder, ESI electrospray ionization, FC fold change, FDR false discovery rate, HCs healthy controls, VIP variable importance in the projection