Table 1 Significantly differential metabolites in testicular tissue of BDE-3 treated mice.

1

184.073

0.717718

[M+H]+

1.08

2.03

2.57

0.53

HMDB0001565

Phosphocholine

C5H14NO4P

—

—

1.33^‡

—

Sphingolipid metabolism

2

215.034

0.668722

[M+Cl]−

0.78

0.39

0.37

1.16

HMDB0000122

D-Glucose

C6H12O6

—

—

—

0.85*

Glycolysis

3

162.112

0.677051

[M+H]+

1.10

1.30

1.75

1.20

HMDB0000062

L-Carnitine

C7H15NO3

—

—

1.33*

—

Lysine degradation

4

90.055

0.698048

[M+H]+

0.31

0.85

1.56

0.19

HMDB0000161

Alanine

C3H7NO2

—

—

1.19^†

—

Phenylalanine, tyrosine and tryptophan biosynthesis

5

132.077

0.700012

[M+H]+

4.13

9.42

11.54

1.57

HMDB0000064

Creatine

C4H9N3O2

—

—

1.22^‡

—

Arginine and proline metabolism

6

116.07

0.712477

[M+H]+

2.00

1.15

1.45

1.39

HMDB0000162

L-Proline

C5H9NO2

1.14*

—

1.15*

—

Arginine and proline metabolism

7

346.047

0.729041

[M+H]+

0.13

1.55

1.28

1.01

HMDB0001314

cGMP

C10H12N5O7P

—

1.11*

1.15^†

1.13^†

cGMP-PKG signaling pathway

8

330.073

0.732617

[M+Na]+

0.74

1.35

1.00

0.91

HMDB0000125

Glutathione

C10H17N3O6S

1.08*

1.16^‡

1.2^‡

1.17^‡

Glutathione metabolism

9

259.023

0.733917

[M−H]−

0.65

0.43

1.37

0.56

HMDB0001401

D-Glucose 6-phosphate

C6H13O9P

—

—

1.29^‡

—

Glycolysis

10

171.007

0.7364

[M−H]−

0.30

0.98

1.55

0.86

—

D-Glycerol 1-phosphate

C3H9O6P

—

—

1.83^‡

1.4^†

11

175.025

0.868175

[M−H]−

0.90

2.36

4.07

3.67

HMDB0000044

L-Ascorbic acid

C6H8O6

—

—

—

0.6*

12

204.123

0.869535

[M+H]+

3.89

1.19

2.99

0.25

HMDB0000201

Acetylcarnitine

C9H17NO4

—

—

1.38*

—

Insulin resistance

13

565.048

0.87205

[M−H]−

1.21

0.88

1.67

1.18

HMDB0000286

UDP-glucose

C15H24N2O17P2

—

—

1.17^†

1.15*

Pyrimidine metabolism

14

606.074

0.875378

[M−H]−

1.41

0.80

0.82

0.94

HMDB0000304

UDP-N-acetyl-D-galactosamine

C17H27N3O17P2

1.17*

—

—

1.19*

Amino sugar and nucleotide sugar metabolism

15

150.058

1.00794

[M+H]+

3.03

1.07

0.49

1.96

HMDB0000696

L-Methionine

C5H11NO2S

1.21^‡

—

—

0.84^†

Cysteine and methionine metabolism

16

137.046

1.01139

[M+H]+

2.26

3.94

2.61

4.59

HMDB0000157

Hypoxanthine

C5H4N4O

—

—

—

0.86^‡

Purine metabolism

17

151.026

1.03714

[M−H]−

0.93

1.46

0.36

1.45

HMDB0000292

Xanthine

C5H4N4O2

—

0.88^†

—

0.82^‡

Purine metabolism

18

180.067

1.11158

[M−H]−

1.13

0.25

0.64

0.50

HMDB0000158

L-Tyrosine

C9H11NO3

1.22^†

—

1.17*

—

Tyrosine metabolism

19

268.104

1.18454

[M+H]+

2.15

1.67

2.05

0.83

HMDB0000050

Adenosine

C10H13N5O4

0.79*

—

0.71^†

—

Purine metabolism

20

132.102

1.20861

[M+H]+

9.50

4.85

0.75

3.67

HMDB0000687

L-Leucine

C6H13NO2

1.23^‡

—

—

0.91*

Valine, leucine and isoleucine degradation

21

269.088

1.27399

[M+H]+

0.32

1.94

2.01

2.24

HMDB0000195

Inosine

C10H12N4O5

—

—

1.13^†

1.13^†

Purine metabolism

22

164.072

2.0733

[M−H]−

1.44

1.01

1.15

1.26

HMDB0000159

L-Phenylalanine

C9H11NO2

1.11*

—

0.88*

0.84^†

Phenylalanine, tyrosine and tryptophan biosynthesis

23

357.089

2.45789

[M−H]−

0.45

0.45

0.98

1.37

HMDB0001416

D-Pantetheine 4′-phosphate

C11H23N2O7PS

—

—

1.12^†

1.26^‡

24

220.118

2.69811

[M+H]+

0.58

0.22

0.89

1.11

HMDB0000210

Pantothenic Acid

C9H17NO5

—

—

0.92*

0.9^†

Vitamin digestion and absorption

25

203.083

3.9441

[M−H]−

0.78

1.00

1.08

1.07

HMDB0000929

L-Tryptophan

C11H12N2O2

—

0.92*

0.87^†

0.83^‡

Tryptophan metabolism/Aminoacyl-tRNA biosynthesis/Phenylalanine, tyrosine and tryptophan biosynthesis

26

119.073

4.44353

[M+H]+

0.51

0.88

1.05

0.20

HMDB0040735

Ethyl lactate

C5H10O3

—

—

1.21^†

—

Pyruvate metabolism

27

790.208

4.59486

[M+H]+

1.45

0.13

0.26

0.47

HMDB0001197

Reduced flavine adenine dinucleotide (FADH2)

C27H37N9O15P2

1.6^‡

—

—

—

Riboflavin metabolism

28

677.484

4.59681

[M+H]+

1.34

0.19

0.28

0.56

HMDB0011204

PG(P-16:0/14:1)

C36H69O9P

1.52^†

—

—

—

29

131.072

5.05562

[M−H]−

0.57

1.05

0.88

0.85

HMDB0000665

Leucic acid

C6H12O3

0.88*

0.7^‡

0.68^‡

0.61^‡

30

779.581

5.82323

[M+H]+

0.26

1.09

1.29

2.26

HMDB0010602

PG(18:0/18:0)

C42H83O10P

—

—

1.3^‡

0.24^‡

31

957.628

6.86155

[M+H]+

0.44

1.05

0.93

0.72

HMDB0009817

PI(21:0/22:4)

C52H93O13P

—

1.47^‡

1.81^‡

0.5^‡

32

157.061

7.51482

[M+Na]+

0.98

1.90

0.72

0.76

HMDB0012251

L-Canaline

C4H10N2O3

1.62

2.67^‡

1.72

1.86

33

621.303

10.0596

[M+H]+

1.44

1.86

1.43

1.80

HMDB0009897

PI(20:4/0:0)

C29H49O12P

0.81^‡

0.73^‡

0.66^‡

0.46^‡

34

478.293

10.2657

[M+H]+

0.22

1.08

0.25

0.35

HMDB0011477

LysoPE(0:0/18:2)

C23H44NO7P

—

1.24^†

—

—

35

524.278

10.2884

[M−H]−

2.32

2.21

2.02

2.04

HMDB0011496

LysoPE(0:0/22:6)

C27H44NO7P

0.77^‡

0.76^‡

0.73^‡

0.64^‡

36

1001.56

10.3001

[M+Cl]−

1.49

1.49

1.49

1.34

HMDB0009791

PI(22:2/22:4)

C53H91O13P

0.64^‡

0.57^‡

0.45^‡

0.39^‡

37

520.34

10.304

[M+H]+

0.68

3.06

0.55

0.56

HMDB0010386

LysoPC(18:2)

C26H50NO7P

—

1.26^†

—

—

38

500.279

10.3084

[M−H]−

4.38

4.44

4.23

4.19

HMDB0011487

LysoPE(0:0/20:4)

C25H44NO7P

0.79^‡

0.75^‡

0.71^‡

0.61^‡

39

568.34

10.3287

[M+H]+

3.44

1.46

2.39

1.93

HMDB0010404

LysoPC(22:6)

C30H50NO7P

0.83^†

—

0.84^†

0.87*

40

1043.61

10.3316

[M+Cl]−

1.50

1.43

1.57

1.43

HMDB0004888

Ganglioside GA2 (d18:1/12:0)

C50H92N2O18

0.73^‡

0.69^‡

0.56^‡

0.5^‡

41

566.321

10.3614

[M+Na]+

0.72

0.67

1.09

0.25

HMDB0010396

LysoPC(20:4)

C28H50NO7P

—

—

1.22^†

—

42

546.355

10.5766

[M+H]+

3.82

4.56

3.63

4.11

HMDB0010393

LysoPC(20:3)

C28H52NO7P

0.69^‡

0.59^‡

0.48^‡

0.31^‡

43

448.342

10.5995

[M+H]+

1.07

0.88

1.02

1.04

HMDB0062343

N-stearoyl tyrosine

C27H45NO4

1.5*

—

1.73^‡

1.76^‡

44

454.293

10.64

[M+H]+

1.82

4.81

4.33

5.75

HMDB0011473

LysoPE(0:0/16:0)

C21H44NO7P

—

0.91^†

0.85^‡

0.75^‡

45

571.289

10.6421

[M−H]−

1.03

1.27

0.64

1.53

—

PI(16:0/0:0)

C25H49O12P

—

—

—

0.89^†

46

496.268

10.6473

[M−H]−

1.31

1.07

1.01

0.93

—

PS(16:0/0:0)

C22H44NO9P

—

—

0.92*

—

47

518.321

10.7014

[M+Na]+

1.73

2.28

2.22

1.66

HMDB0010382

LysoPC(16:0)

C24H50NO7P

—

1.19*

1.41^‡

1.21*

48

528.308

10.8622

[M+H]+

3.82

2.46

2.61

2.63

HMDB0011495

LysoPE(0:0/22:5)

C27H46NO7P

0.77^‡

0.87*

0.8^‡

0.77^‡

49

1095.64

10.8841

[M−H]−

1.53

1.33

1.32

1.07

HMDB0004842

Ganglioside GM3 (d18:1/12:0)

C53H96N2O21

0.52^‡

0.55^‡

0.43^‡

0.48^‡

50

570.355

10.9047

[M+H]+

6.34

1.51

3.77

1.44

HMDB0010403

LysoPC(22:5)

C30H52NO7P

0.81^†

0.95

0.85*

0.97

51

438.299

10.9115

[M−H]−

1.51

0.97

1.70

0.50

HMDB0005780

PE(O-16:0/0:0)

C21H46NO6P

1.32^‡

1.21*

1.63^‡

0.86

52

480.309

10.9772

[M+H]+

0.95

1.92

1.99

3.33

HMDB0011476

LysoPE(0:0/18:1)

C23H46NO7P

—

—

0.87^†

0.74^‡

53

438.298

11.0137

[M+H]+

1.72

1.67

1.03

1.24

HMDB0011152

PE(P-16:0/0:0)

C21H44NO6P

1.11*

1.09*

1.09*

0.89*

54

528.309

11.1544

[M−H]−

0.81

1.17

1.13

1.12

HMDB0011493

LysoPE(0:0/22:4)

C27H48NO7P

0.88^†

0.76^‡

0.69^‡

0.59^‡

55

508.375

11.2894

[M+H]+

0.92

1.14

1.19

0.19

—

PC(O-18:1(9E)/0:0)

C26H54NO6P

—

1.24*

1.47^‡

1.02

56

483.273

11.6194

[M−H]−

1.55

1.47

1.92

1.04

—

PG(16:0/0:0)

C22H45O9P

0.92*

0.88^†

0.76^‡

0.89^†

57

556.339

11.6446

[M+Na]+

1.05

0.88

0.98

1.11

HMDB0011492

LysoPE(0:0/22:2)

C27H52NO7P

0.85^‡

0.87^†

0.74^‡

0.67^‡

58

504.306

11.8836

[M+H]+

0.22

0.44

0.51

1.04

HMDB0011485

LysoPE(0:0/20:3)

C25H46NO7P

—

—

0.89*

0.65^‡

59

480.31

11.8854

[M−H]−

1.25

1.40

2.05

3.41

HMDB0011129

LysoPE(0:0/18:0)

C23H48NO7P

—

—

0.87^†

0.61^‡

60

524.371

11.947

[M+H]+

5.50

4.13

4.66

8.38

HMDB0010384

LysoPC(18:0)

C26H54NO7P

1.08*

—

0.87^†

0.71^‡

61

1047.73

11.9471

[M+Na]+

1.15

3.94

3.58

4.31

HMDB0055889

TG(22:5/22:6/22:6)

C69H100O6

—

0.76^†

0.56^‡

0.43^‡

62

546.353

11.9579

[M+H]+

1.10

1.33

1.30

2.27

—

PS(20:4/0:0)

C26H44NO9P

—

—

0.9*

0.78^‡

63

600.402

12.1688

[M+Na]+

0.23

1.10

1.25

0.95

HMDB0010399

LysoPC(22:1)

C30H60NO7P

—

—

0.75^‡

0.85^†

64

524.299

12.2169

[M−H]−

0.45

1.14

1.07

1.56

—

PS(18:0/0:0)

C24H48NO9P

—

0.92*

0.88^†

0.75^‡

65

466.329

12.2984

[M+H]+

0.18

0.23

0.19

1.02

—

PE(P-18:0/0:0)

C26H43NO6

—

—

—

0.63^‡

66

300.289

12.6925

[M+H]+

1.53

1.88

1.76

2.32

HMDB0000252

Sphingosine

C18H37NO2

0.8^‡

0.74^‡

0.53^‡

0.7^‡

Sphingolipid metabolism

67

756.551

12.9843

[M+H]+

0.59

1.87

2.42

1.41

HMDB0008166

PC(18:3/16:0)

C42H78NO8P

—

—

5.14^‡

—

68

303.233

13.4473

[M−H]−

3.87

4.80

4.13

4.31

HMDB0001043

Arachidonic Acid (peroxide free)

C20H32O2

0.89^‡

0.83^‡

0.82^‡

0.75^‡

Biosynthesis of unsaturated fatty acids

69

788.554

13.4499

[M+H]+

1.10

1.25

1.40

1.50

HMDB0012390

PS(18:1/18:1)

C42H78NO10P

0.68

0.67*

0.41^†

0.34^‡

70

353.266

13.5693

[M+Na]+

0.54

1.12

1.01

0.83

—

1-Monopalmitin

C19H38O4

—

0.58^†

0.31^‡

0.47^‡

71

279.233

13.5874

[M−H]−

1.62

1.07

1.54

1.27

HMDB0000673

Linoleic acid

C18H32O2

0.76^†

0.85*

0.68^‡

0.68^‡

Biosynthesis of unsaturated fatty acids

72

754.536

14.1461

[M+H]+

1.28

0.88

0.54

0.74

HMDB0007974

PC(16:0/18:4)

C42H76NO8P

0.79*

—

—

0.79*

73

804.551

14.1466

[M+H]+

2.98

4.50

3.73

4.10

HMDB0008023

PC(16:1/22:6)

C46H78NO8P

0.84^†

0.75^‡

0.65^‡

0.57^‡

74

805.554

14.1495

[M+H]+

1.62

1.28

1.40

2.42

HMDB0115266

PA(22:0/22:6)

C47H81O8P

—

—

—

0.81*

75

255.233

14.1514

[M−H]−

2.04

1.39

1.42

1.39

HMDB0000220

Palmitic acid

C16H32O2

0.72^‡

0.82^‡

0.78^‡

0.71^‡

Biosynthesis of unsaturated fatty acids/Fatty acid metabolism

76

381.174

14.307

[M+Cl]-

1.23

1.98

2.07

2.02

HMDB0001547

corticosterone

C21H30O4

—

0.86^‡

0.8^‡

0.74^‡

Steroid hormone biosynthesis