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Table 3 Significant metabolites and lipids annotated according to variable importance in projection (VIP) scores (from PLS-DA) and p-value (one-way ANOVA)

From: Integrated plasma metabolomics and lipidomics profiling highlights distinctive signature of hepatocellular carcinoma in HCV patients

Compound

m/z

Primary adduct

Molecular formula

VIP value

p-value

HMDB CODE

KEGG

Metabolites

 Paraxanthine

181.07201

[M+H]+

C7H8N4O2

1.5920

2.19E−05

HMDB0001860

C13747

 FA 18:1;1O

295.22836

[M−H]−

C18H34O3

1.5692

4.18E−28

HMDB0030981

 

 Dehydroepiandrosterone sulfate

367.15889

[M−H]−

C19H28O5S

1.5499

4.18E−40

HMDB0001032

C04555

 Isoleucylproline

229.15457

[M+H]+

C11H20N2O3

1.5264

1.98E−07

HMDB0011174

 

 Asymmetric dimethylarginine

203.15007

[M+H]+

C8H18N4O2

1.4982

7.12E−15

HMDB0001539

C03626

 Methylguanine

166.07248

[M+H]+

C6H7N5O

1.4922

1.09E−09

HMDB0003282

C04152

 CAR 9:0

302.23251

[M+H]+

C16H31NO4

1.4194

1.88E−08

HMDB0013288

 

 Methylpyridonecarboxamide

153.06585

[M+H]+

C7H8N2O

1.3698

1.88E−08

HMDB0004194

 

 CAR 10:1

314.23275

[M+H]+

C17H31NO4

1.3474

5.90E−08

HMDB0250918

 

 CAR 2:0

204.12322

[M+H]+

C9H17NO4

1.3381

6.71E−19

HMDB0240773

C02571

 CAR 10:0

316.24831

[M+H]+

C17H33NO4

1.3152

4.28E−07

HMDB0000651

C03299

 Deoxycholic acid glycine conjugate

448.30692

[M−H]−

C26H43NO5

1.3128

8.75E−04

HMDB0000631

C05464

 Hydroxyanthranilic acid

154.05006

[M+H]+

C7H7NO3

1.3118

2.28E−07

HMDB0001476

C00632

 Indoxyl sulfate

212.00253

[M−H]−

C8H7NO4S

1.2672

2.14E−04

HMDB0000682

 

 CAR 6:0

260.18546

[M+H]+

C13H26NO4

1.2195

5.61E−10

HMDB0000705

 

 CAR 8:0

288.21724

[M+H]+

C15H29NO4

1.2038

1.87E−06

HMDB0000791

C02838

 Glycerophosphocholine

258.11014

[M+H]+

C8H20NO6P

1.1740

3.90E−61

HMDB0000086

C00670

 CAR 5:1

244.15388

[M+H]+

C12H21NO4

1.1487

1.23E−04

HMDB0241656

 

 Aminooctanoic acid

160.13322

[M+H]+

C8H17NO2

1.1487

1.18E−04

HMDB0247418

 

 Histidine

156.07681

[M+H]+

C6H9N3O2

1.1124

7.08E−05

HMDB0000177

C00135

Lipids

 SM 42:2;3O

829.67813

[M+H]+

C47H93N2O7P

2.1819

1.71E−02

HMDB0013469

C00550

 LPC 18:2_A

520.34014

[M+H]+

C26H50NO7P

1.8945

1.68E−22

HMDB0010386

C04100

 LPC 20:3

546.355

[M+H]+

C28H52NO7P

1.8821

2.85E−21

HMDB0010393

C03916

 LPC 14:0

468.30896

[M+H]+

C22H46NO7P

1.8775

3.96E−20

HMDB0010379

C03916

 LPC 18:2_B

564.33085

[M+HCOO]−

C26H50NO7P

1.8629

6.72E−09

HMDB0010386

C03916

 LPC 18:3

518.32392

[M+H]+

C26H48NO7P

1.7920

5.64E−17

HMDB0010387

C03916

 LPC 20:4_A

544.33999

[M+H]+

C28H50NO7P

1.7817

4.99E−18

HMDB0010396

C03916

 LPC O-16:0

482.36072

[M+H]+

C24H52NO6P

1.7589

2.85E−21

HMDB0243890

C13903

 LPC O-18:1_A

508.37644

[M+H]+

C26H54NO6P

1.7491

5.65E−50

HMDB0013122

C04317

 LPC 15:0

482.32461

[M+H]+

C23H48NO7P

1.7397

2.28E−20

HMDB0010381

C04230

 LPC 18:1_A

522.3558

[M+H]+

C26H52NO7P

1.6699

2.26E−32

HMDB0010385

C04230

 LPC O-16:1

480.34516

[M+H]+

C24H50NO6P

1.6303

3.35E−50

HMDB0010407

C04317

 LPC 16:0

496.33988

[M+H]+

C24H50NO7P

1.6302

1.14E−35

HMDB0010382

C04233

 TG 12:0_16:0_18:1

794.72192

[M+NH4]+

C49H92O6

1.6290

1.20E−03

 

C00422

 LPC 18:1_B

566.34631

[M+HCOO]−

C26H52NO7P

1.6217

4.87E−30

HMDB0010385

C04230

 LPC 17:0

510.35577

[M+H]+

C25H52NO7P

1.6162

3.80E−31

HMDB0012108

C04230

 LPC 18:0

524.37124

[M+H]+

C26H54NO7P

1.6111

1.58E−40

HMDB0010384

C04230

 PC 40:8

830.56883

[M+H]+

C48H80NO8P

1.5994

1.98E−18

HMDB0008443

C00157

 PC 18:1_22:6

832.58371

[M+H]+

C48H82NO8P

1.5939

1.04E−07

HMDB0008123

C1387

 PC 16:0_16:0

734.56896

[M+H]+

C40H80NO8P

1.5665

6.52E−01

HMDB0000564

C00157

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Journal of Translational Medicine

ISSN: 1479-5876

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