Table 3 Significantly differential metabolites in serum of BDE-3 treated mice.

1

116.071

[M+H]+

1.85

1.62

1.34

1.37

HMDB0000162

L-Proline

C5H9NO2

1.46^*

1.65^†

—

1.51^*

Arginine and proline metabolism

2

118.086

[M+H]+

2.43

2.58

1.93

2.05

HMDB0000883

L-Valine

C5H11NO2

—

1.51^†

1.41^*

1.47^*

Valine, leucine and isoleucine degradation

3

129.056

[M−H]−

0.81

1.38

1.46

1.86

HMDB0000695

Ketoleucine

C6H10O3

—

1.71^*

1.57^*

1.82^†

Valine, leucine and isoleucine degradation

4

130.087

[M−H]−

0.96

1.13

1.08

0.99

HMDB0000687

L-Leucine

C6H13NO2

—

1.58^†

1.46^†

1.39^*

Valine, leucine and isoleucine degradation

5

136.076

[M+H]+

1.50

0.84

1.41

0.85

HMDB0010715

2-Phenylacetamide

C8H9NO

1.42^†

1.35^*

1.76^†

1.33^*

Phenylalanine metabolism

6

150.058

[M+H]+

2.17

1.44

1.42

1.17

HMDB0000696

L-Methionine

C5H11NO2S

1.34^*

1.33^*

—

—

Cysteine and methionine metabolism

7

157.061

[M+H]+

1.28

0.89

0.56

1.22

HMDB0001014

4-Imidazolone-5-propionic acid

C6H8N2O3

1.53^‡

1.50^*

1.56^†

1.45^†

Histidine metabolism

8

162.112

[M+H]+

1.55

0.61

1.01

1.57

HMDB0000062

L-Carnitine

C7H15NO3

—

—

—

1.34^*

Lysine degradation

9

164.071

[M−H]−

1.18

1.29

1.24

1.01

HMDB0000159

L-Phenylalanine

C9H11NO2

1.26^*

1.36^†

1.34^†

1.25^*

Phenylalanine, tyrosine and tryptophan biosynthesis

10

165.055

[M+H]+

1.44

0.83

1.41

0.82

—

L-Tyrosine fragment

C9H8O3

1.40^†

1.34^*

1.77^†

1.31^*

11

172.991

[M−H]−

1.89

1.27

0.24

1.38

—

Phenyl sulfate

C6H6O4S

2.61^*

1.73^*

—

2.11^*

12

182.081

[M+H]+

3.61

1.93

3.34

1.94

HMDB0000158

L-Tyrosine

C9H11NO3

1.42^†

1.33^*

1.75^†

1.31^*

Tyrosine metabolism

13

185.154

[M+H]+

1.45

1.34

1.39

1.50

—

2-hendecenoic acid

C11H20O2

1.92^‡

2.28^‡

2.29^‡

2.44^‡

14

188.071

[M+H]+

3.30

1.57

2.80

2.31

—

L-Tryptophan fragment

C11H9NO2

1.25^†

—

1.32^‡

1.24^†

15

188.986

[M−H]−

1.21

1.35

0.32

1.16

HMDB0059724

Pyrocatechol sulfate

C6H6O5S

1.87^*

2.10^*

—

1.91^*

16

203.082

[M−H]−

1.68

0.74

1.46

1.05

HMDB0000929

L-Tryptophan

C11H12N2O2

1.19^†

—

1.20^†

1.12^*

Phenylalanine, tyrosine and tryptophan biosynthesis

17

212.002

[M−H]−

2.74

3.14

1.23

2.28

—

Indoxylsulfuric acid

C8H7NO4S

2.08^†

2.22^†

—

1.95^*

18

225.123

[M+NH4]+

1.62

1.13

0.68

1.56

HMDB0000512

N-Acetyl-L-phenylalanine

C11H13NO3

0.50^†

0.43^†

—

0.35^‡

Phenylalanine metabolism

19

231.159

[M+H]+

1.22

1.11

1.11

1.23

HMDB0000623

Dodecanedioic acid

C12H22O4

1.95^‡

2.30^‡

2.24^‡

2.46^‡

20

267.073

[M−H]−

0.73

0.44

2.18

0.58

HMDB0000195

Inosine

C10H12N4O5

—

—

3.26^‡

—

Purine metabolism

21

454.294

[M+H]+

1.40

1.19

1.10

1.04

HMDB0011473

LysoPE(0:0/16:0)

C21H44NO7P

1.27^*

1.44^†

1.32^*

1.30^*

22

478.293

[M−H]−

0.63

1.31

1.10

0.72

HMDB0011505

LysoPE(18:1/0:0)

C23H46NO7P

—

1.73^†

1.43^†

—

Pentose and glucuronate interconversions

23

478.294

[M+H]+

0.16

2.91

2.18

0.58

HMDB0011507

LysoPE(18:2/0:0)

C23H44NO7P

—

1.92^‡

1.51^†

—

24

494.325

[M+H]+

4.34

2.99

3.84

2.74

HMDB0010383

LysoPC(16:1)

C24H48NO7P

1.81^‡

2.06^*

2.14^‡

1.69^†

Glycerophospholipid metabolism

25

518.323

[M+H]+

1.59

1.53

1.56

1.47

HMDB0010387

LysoPC(18:3)

C26H48NO7P

1.09^*

1.16^‡

1.15^‡

1.14^†

Pentose and glucuronate interconversions

26

522.357

[M+H]+

8.72

7.06

8.03

6.31

HMDB0010385

LysoPC(18:1)

C26H52NO7P

1.49^†

1.74^†

1.76^†

1.52^*

27

542.325

[M+H]+

2.14

2.06

2.51

1.87

HMDB0010397

LysoPC(20:5/0:0)

C28H48NO7P

1.44^‡

1.94^†

1.97^‡

1.63^‡

28

544.341

[M+H]+

0.81

1.71

2.55

1.20

HMDB0010396

LysoPC(20:4)

C28H50NO7P

—

—

1.20^*

—

Glycerophospholipid metabolism

29

546.357

[M+H]+

2.17

1.86

3.03

2.53

HMDB0010393

LysoPC(20:3)

C28H52NO7P

—

1.45^*

1.80^†

1.53^†

Pentose and glucuronate interconversions

30

570.356

[M+H]+

1.14

1.05

1.39

1.04

HMDB0010403

LysoPC(22:5)

C30H52NO7P

—

2.01^†

2.03^†

—

Pentose and glucuronate interconversions

31

619.288

[M+Cl]-

0.37

1.64

1.76

0.81

HMDB0002577

Cholic acid glucuronide

C30H48O11

—

1.89^†

1.84^†

—

Pentose and glucuronate interconversions