Table 2 Differentially expressed metabolites between males and females based on the untargeted liquid chromatography-mass spectrometry-based metabolomic analysis

Fatty Acids and Conjugates

LMFA01150004

3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid

503.190

7.870

36

Positive

2.167

0.516

0.026

HMDB02231

Eicosenoic acid

309.280

7.865

38.7

Negative

2.151

0.522

0.027

HMDB02226

Adrenic acid

377.269

7.865

36.7

Negative

2.157

0.534

0.027

HMDB02068

Erucic acid

337.312

8.303

37.7

Negative

2.308

0.410

0.018

LMFA01020102

2-methyl-2E-heptenoic acid

283.191

4.343

38.7

Negative

2.079

0.576

0.034

LMFA01170038

Tricosanedioic acid

405.300

8.303

37.8

Negative

2.323

0.318

0.018

HMDB04704

9,10-DHOME

313.239

5.583

37.3

Negative

2.053

0.664

0.035

LMFA01050152

methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate

531.220

8.301

38.4

Positive

2.243

0.333

0.022

LMFA08020098

N-palmitoyl tyrosine

837.600

9.570

36.3

Negative

2.143

0.520

0.029

LMFA01030831

26:5(11Z,14Z,17Z,20Z,23Z)

431.318

5.830

35.7

Negative

2.323

2.401

0.021

HMDB00207

Oleic acid

327.254

6.789

37.5

Negative

2.071

8.631

0.050

Glycerophosphocholines

HMDB10391

LysoPC(20:1(11Z))

572.370

6.321

38.5

Positive

2.857

0.626

0.002

HMDB10401

LysoPC(22:4(7Z,10Z,13Z,16Z))

616.363

6.316

58.5

Negative

2.888

0.640

0.002

HMDB10393

LysoPC(20:3(5Z,8Z,11Z))

590.347

6.248

37.9

Negative

2.312

0.578

0.017

HMDB07952

PC(15:0/22:1(13Z))

822.599

9.284

40.4

Negative

2.819

0.670

0.003

HMDB07875

PC(14:0/18:3(6Z,9Z,12Z))

772.514

8.317

33.3

Negative

2.184

1.695

0.025

LMGP01050001

PC(13:0/0:0)

452.279

5.151

56.9

Negative

2.562

1.619

0.010

HMDB10379

LysoPC(14:0)

468.308

5.149

37.3

Positive

2.640

1.556

0.009

HMDB07892

PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

800.520

8.357

44.3

Positive

3.413

1.719

0.000

Sphingomyelins

LMSP03010046

SM(d18:0/17:0)

717.592

9.407

37.2

Negative

1.930

0.568

0.049

LMSP03010034

SM(d18:2/14:0)

695.508

8.191

57.6

Positive

3.916

1.526

0.000

LMSP03010002

SM(d18:1/12:0)

691.505

8.159

57.2

Negative

3.413

1.680

0.000

LMSP03010036

SM(d18:2/15:0)

731.535

8.385

52.1

Negative

2.951

1.704

0.003

Flavonoids

LMPK12130058

Ambofuracin

571.180

7.870

36

Positive

2.050

0.639

0.036

LMPK12110281

Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside

661.176

7.872

35.6

Negative

2.340

0.310

0.016

LMPK12080046

7-O-Methyllicoricidin

921.481

8.193

38.6

Negative

3.543

2.072

0.000

Others

HMDB06117

APGPR Enterostatin

519.264

8.301

37.3

Positive

2.346

0.265

0.017

HMDB07065

DG(14:1(9Z)/24:1(15Z)/0:0)

671.559

10.020

36.4

Positive

2.108

0.547

0.030

LMST05010016

6alpha-Glucuronosylhyodeoxycholate

284.666

6.060

37.8

Positive

1.989

0.650

0.042

LMST03020073

1alpha-hydroxy-24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3

484.320

5.307

37.2

Positive

2.555

2.652

0.012

LMGP06010417

PI(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))

899.469

8.198

35.3

Positive

3.902

2.549

0.000

LMPK12140228

Flavaprenin 7,4'-diglucoside

665.246

3.000

36.6

Positive

2.214

0.412

0.023

LMPK04000042

Troleandomycin

831.483

8.191

35.8

Positive

3.751

1.828

0.000

LMST04010192

3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid

449.255

5.358

39

Negative

3.282

0.317

0.000

HMDB00226

Orotic acid

357.032

0.822

38.3

Negative

1.945

0.665

0.047

LMGP03050014

PS(22:4(7Z,10Z,13Z,16Z)/0:0)

594.282

5.940

36.9

Negative

2.108

0.562

0.030