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Table 2 Putative identification of plasma metabolites in the control and low calorie diet (LCD) groups at the baseline and follow-up assessments

From: Metabolomics identifies increases in the acylcarnitine profiles in the plasma of overweight subjects in response to mild weight loss: a randomized, controlled design study

Identified metabolite

Molecular formula

m/z [Mā€‰+ā€‰H]

Normalized peak intensities

VIP

q a

q b

q c

Control group (nā€‰=ā€‰50)

LCD group (nā€‰=ā€‰47)

Baseline vs. follow-up in the weight loss group

Placebo follow-up vs. test follow-up

Baseline

Follow-up

Baseline

Follow-up

Leucine

C6H13NO2

132.101

69,199,518Ā Ā±Ā 1,836,711

67,420,761Ā Ā±Ā 1,582,674

68,873,642Ā Ā±Ā 2,357,457

66,991,101Ā Ā±Ā 1,680,467

2.464

1.909

0.932

0.596

Ā 

Cinnamic acid

C9H8O2

149.060

46,918Ā Ā±Ā 1558

498,417Ā Ā±Ā 451,353

53,897Ā Ā±Ā 5095

49,790Ā Ā±Ā 3202

0.044

1.194

0.863

0.418

Ā 

Phenylalanine

C9H11NO2

166.086

36,208,763Ā Ā±Ā 997,849

36,755,754Ā Ā±Ā 813,575

35,402,342Ā Ā±Ā 874,666

37,279,370Ā Ā±Ā 1,022,374

3.021

1.614

0.891

0.543

Ā 

Tyrosine

C9H11NO3

182.081

22,155,726Ā Ā±Ā 651,812

22,600,874Ā Ā±Ā 639,963

21,257,580Ā Ā±Ā 596,338

22,640,873Ā Ā±Ā 739,425

2.616

1.324

0.863

0.626

Ā 

3-Indolepropionic acid

C11H11NO2

190.086

4,002,006Ā Ā±Ā 1,272,195

4,041,927Ā Ā±Ā 1,236,682

1,271,269Ā Ā±Ā 134,543

1,227,563Ā Ā±Ā 120,655

0.515

2.978

0.863

0.229

Ā 

Dodecanamide

C12H25NO

200.201

1,558,068Ā Ā±Ā 258,678

1,863,395Ā Ā±Ā 378,657

1,581,902Ā Ā±Ā 282,781

1,393,313Ā Ā±Ā 210,938

1.092

1.559

0.934

0.411

Ā 

Tryptophan

C11H12N2O2

205.097

39,197,768Ā Ā±Ā 1,458,101

39,839,464Ā Ā±Ā 1,415,489

38,501,638Ā Ā±Ā 1,871,339

39,134,171Ā Ā±Ā 1,617,069

2.595

2.168

0.920

0.562

Ā 

3-Hydroxydodecanoic acid

C12H24O3

217.179

3,246,500Ā Ā±Ā 518,641

3,723,180Ā Ā±Ā 750,057

3,585,802Ā Ā±Ā 631,353

4,089,347Ā Ā±Ā 605,082

1.753

1.774

0.910

0.550

Ā 

Palmitic amide

C16H33NO

256.263

13,751,407Ā Ā±Ā 1,082,041

15,138,462Ā Ā±Ā 1,359,736

15,340,611Ā Ā±Ā 1,075,051

15,153,308Ā Ā±Ā 1,147,945

2.330

2.499

0.863

0.632

Ā 

Hexanoylcarnitine

C13H25NO4

260.186

608,614Ā Ā±Ā 30,592

612,447Ā Ā±Ā 29,061

634,093Ā Ā±Ā 38,818

909,940Ā Ā±Ā 57,087***

1.368

1.537

0.900

0.001

Ā 

ā€ƒChange

Ā Ā 

3833ā€‰Ā±ā€‰41,113

275,848ā€‰Ā±ā€‰59,070

Ā Ā Ā Ā 

0.033

Oleamide

C18H35NO

282.278

78,372,127Ā Ā±Ā 4,740,634

82,082,837Ā Ā±Ā 6,769,412

89,539,229Ā Ā±Ā 5,022,276

79,086,450Ā Ā±Ā 4,856,087

7.485

5.628

0.863

0.554

Ā 

2-Octenoylcarnitine

C15H27NO4

286.201

3,403,461Ā Ā±Ā 209,099

3,295,980Ā Ā±Ā 194,746

3,519,700Ā Ā±Ā 248,614

4,083,782Ā Ā±Ā 298,458

1.484

1.750

0.915

0.236

Ā 

L-Octanoylcarnitine

C15H29NO4

288.216

2,142,223Ā Ā±Ā 118,455

2,099,293Ā Ā±Ā 101,216

2,312,360Ā Ā±Ā 147,156

3,279,385Ā Ā±Ā 233,253***

2.502

3.068

0.867

0.001

Ā 

ā€ƒChange

Ā Ā 

āˆ’42,930ā€‰Ā±ā€‰139,259

967,025ā€‰Ā±ā€‰228,837

Ā Ā Ā Ā 

0.033

9-Decenoylcarnitine

C17H31NO4

314.232

3,402,770Ā Ā±Ā 186,196

3,415,091Ā Ā±Ā 162,320

3,556,295Ā Ā±Ā 232,420

4,836,086Ā Ā±Ā 291,858***

2.900

3.292

0.900

0.002

Ā 

ā€ƒChange

Ā Ā 

12,322ā€‰Ā±ā€‰222,399

1,279,791ā€‰Ā±ā€‰300,197

Ā Ā Ā Ā 

0.051

Trans-2-Dodecenoylcarnitine

C19H35NO4

342.263

1,598,708Ā Ā±Ā 125,856

1,497,283Ā Ā±Ā 83,951

1,650,280Ā Ā±Ā 124,122

2,402,866Ā Ā±Ā 161,419***

2.341

3.039

0.920

0.001

Ā 

ā€ƒChange

Ā Ā 

āˆ’101,426ā€‰Ā±ā€‰138,742

752,586ā€‰Ā±ā€‰185,951

Ā Ā Ā Ā 

0.033

Dodecanoylcarnitine

C19H37NO4

344.279

1,424,275Ā Ā±Ā 153,492

1,165,937Ā Ā±Ā 87,541

1,420,237Ā Ā±Ā 157,620

2,043,414Ā Ā±Ā 189,930*

1.938

2.879

0.936

0.003

Ā 

Tetracosahexaenoic acid

C24H36O2

357.278

1,658,005Ā Ā±Ā 271,155

1,718,916Ā Ā±Ā 200,221

2,038,912Ā Ā±Ā 358,879

1,351,020Ā Ā±Ā 128,186

2.073

0.735

0.872

0.372

Ā 

3,5-Tetradecadiencarnitine

C21H37NO4

368.279

1,131,603Ā Ā±Ā 122,534

968,845Ā Ā±Ā 76,487

1,066,107Ā Ā±Ā 90,189

1,643,966Ā Ā±Ā 135,858**

2.061

2.606

0.909

0.002

Ā 

ā€ƒChange

Ā Ā 

āˆ’162,758ā€‰Ā±ā€‰134,815

577,859ā€‰Ā±ā€‰155,842

Ā Ā Ā Ā 

0.037

Cis-5-Tetradecenoylcarnitine

C21H39NO4

370.294

1,706,081Ā Ā±Ā 185,912

1,583,864Ā Ā±Ā 134,276

1,780,591Ā Ā±Ā 160,767

2,608,263Ā Ā±Ā 212,663**

2.324

3.169

0.919

0.003

Ā 

ā€ƒChange

Ā Ā 

āˆ’122,217ā€‰Ā±ā€‰178,687

827,672ā€‰Ā±ā€‰238,593

Ā Ā Ā Ā 

0.076

Tetradecanoylcarnitine

C21H41NO4

372.310

196,602Ā Ā±Ā 18,151

201,544Ā Ā±Ā 23,048

196,335Ā Ā±Ā 21,232

261,601Ā Ā±Ā 68,648

0.674

1.145

0.937

0.431

Ā 

9,12-Hexadecadienoylcarnitine

C23H41NO4

396.310

200,840Ā Ā±Ā 23,812

179,743Ā Ā±Ā 15,299

216,362Ā Ā±Ā 22,755

305,619Ā Ā±Ā 28,345**

0.695

1.057

0.905

0.006

Ā 

9-Hexadecenoylcarnitne

C23H43NO4

398.326

805,349Ā Ā±Ā 78,646

764,402Ā Ā±Ā 59,953

879,547Ā Ā±Ā 75,817

1,082,378Ā Ā±Ā 78,777*

1.025

1.516

0.886

0.033

Ā 

L-Palmitoylcarnitine

C23H45NO4

400.342

2,659,345Ā Ā±Ā 235,470

2,492,746Ā Ā±Ā 158,183

2,964,365Ā Ā±Ā 212,908

3,089,189Ā Ā±Ā 173,630

0.971

1.874

0.863

0.150

Ā 

Linoleyl carnitine

C25H45NO4

424.341

3,432,241Ā Ā±Ā 258,751

3,448,289Ā Ā±Ā 251,617

3,974,869Ā Ā±Ā 282,822

3,997,750Ā Ā±Ā 239,882

0.991

1.479

0.863

0.365

Ā 

11Z-Octadecenylcarnitine

C25H47NO4

426.357

4,028,850Ā Ā±Ā 366,572

3,777,116Ā Ā±Ā 227,107

4,624,006Ā Ā±Ā 332,692

4,855,270Ā Ā±Ā 247,842

1.175

2.586

0.863

0.035

Ā 

Stearoylcarnitine

C25H49NO4

428.373

788,773Ā Ā±Ā 92,558

682,655Ā Ā±Ā 60,559

1,031,733Ā Ā±Ā 153,656

854,050Ā Ā±Ā 60,947

1.043

0.898

0.863

0.287

Ā 

Glycoursodeoxycholic acid

C26H43NO5

450.321

50,921Ā Ā±Ā 7574

57,755Ā Ā±Ā 8421

98,290Ā Ā±Ā 41,323

101,322Ā Ā±Ā 26,695

1.006

0.535

0.863

0.369

Ā 

LysoPC (14:0)

C22H46NO7P

468.307

10,040,884Ā Ā±Ā 764,081

10,401,952Ā Ā±Ā 763,675

10,689,233Ā Ā±Ā 718,261

8,424,696Ā Ā±Ā 507,725**

3.674

3.330

0.890

0.248

Ā 

LysoPE (18:2)

C23H44NO7P

478.292

4,959,398Ā Ā±Ā 371,744

5,069,861Ā Ā±Ā 286,366

4,805,440Ā Ā±Ā 259,491

4,682,920Ā Ā±Ā 231,774

0.879

1.335

0.917

0.414

Ā 

LysoPC (P-16:0)

C24H50NO6P

480.344

4,110,993Ā Ā±Ā 341,788

3,970,485Ā Ā±Ā 280,525

4,664,875Ā Ā±Ā 339,451

4,743,238Ā Ā±Ā 340,113

1.256

1.874

0.863

0.336

Ā 

LysoPC (15:0)

C23H48NO7P

482.324

5,290,855Ā Ā±Ā 402,662

5,345,146Ā Ā±Ā 372,812

5,878,370Ā Ā±Ā 381,664

5,434,814Ā Ā±Ā 307,358

1.512

1.203

0.863

0.596

Ā 

LysoPC (16:1)

C24H48NO7P

494.322

33,323,736Ā Ā±Ā 2,486,845

32,403,948Ā Ā±Ā 2,140,796

34,631,912Ā Ā±Ā 2,132,250

32,861,351Ā Ā±Ā 1,872,070

2.379

2.239

0.912

0.601

Ā 

LysoPC (16:0)

C24H50NO7P

496.338

138,949,923Ā Ā±Ā 4,569,604

135,185,761Ā Ā±Ā 3,936,092

144,202,989Ā Ā±Ā 4,066,681

141,523,884Ā Ā±Ā 3,297,945

4.511

4.869

0.872

0.402

Ā 

LysoPE (20:5)

C25H42NO7P

500.276

1,347,355Ā Ā±Ā 89,611

1,464,681Ā Ā±Ā 78,217

1,303,582Ā Ā±Ā 81,981

1,218,180Ā Ā±Ā 62,061

0.525

1.050

0.915

0.174

Ā 

LysoPC (17:0)

C25H52NO7P

510.354

6,009,897Ā Ā±Ā 513,695

6,076,807Ā Ā±Ā 518,215

6,665,983Ā Ā±Ā 467,898

6,616,976Ā Ā±Ā 468,650

1.427

1.666

0.863

0.449

Ā 

LysoPC (18:4)

C26H46NO7P

516.307

2,447,450Ā Ā±Ā 258,665

1,910,581Ā Ā±Ā 195,850

2,458,064Ā Ā±Ā 237,607

2,669,297Ā Ā±Ā 263,124

1.055

2.093

0.936

0.204

Ā 

LysoPC (18:3)

C26H48NO7P

518.323

15,179,171Ā Ā±Ā 684,691

13,872,739Ā Ā±Ā 565,055

14,630,190Ā Ā±Ā 688,150

14,496,638Ā Ā±Ā 693,728

1.083

1.961

0.896

0.468

Ā 

LysoPC (18:2)

C26H50NO7P

520.338

126,463,727Ā Ā±Ā 4,429,933

119,011,941Ā Ā±Ā 4,540,519

131,062,544Ā Ā±Ā 5,257,011

134,980,434Ā Ā±Ā 5,451,322

2.968

4.143

0.886

0.222

Ā 

LysoPC (18:1)

C26H52NO7P

522.353

46,404,015Ā Ā±Ā 1,970,134

46,855,407Ā Ā±Ā 1,807,203

49,728,198Ā Ā±Ā 1,732,770

50,063,092Ā Ā±Ā 1,565,998

2.799

3.721

0.863

0.393

Ā 

LysoPC (20:5)

C28H48NO7P

542.322

21,296,265Ā Ā±Ā 1,180,839

23,129,472Ā Ā±Ā 1,427,868

22,695,421Ā Ā±Ā 1,382,332

21,128,248Ā Ā±Ā 1,302,925

1.824

1.702

0.879

0.414

Ā 

LysoPC (20:4)

C28H50NO7P

544.338

23,325,452Ā Ā±Ā 773,358

22,972,855Ā Ā±Ā 648,846

25,773,359Ā Ā±Ā 759,935

26,979,655Ā Ā±Ā 665,976

2.371

5.282

0.863

0.002

Ā 

LysoPC (20:3)

C28H52NO7P

546.353

11,404,669Ā Ā±Ā 384,062

11,060,195Ā Ā±Ā 353,164

11,453,253Ā Ā±Ā 341,767

11,416,355Ā Ā±Ā 314,693

1.135

1.377

0.933

0.455

Ā 

LysoPC (22:6)

C30H50NO7P

568.338

6,497,939Ā Ā±Ā 384,463

6,751,525Ā Ā±Ā 359,584

7,097,799Ā Ā±Ā 397,002

7,370,800Ā Ā±Ā 349,895

1.231

1.528

0.863

0.401

Ā 
  1. Meanā€‰Ā±ā€‰SE. VIP is the variable importance in the projection. The qa-value is the adjusted p-value derived from the independent t-test in the baseline and controls based on the false discovery rate (FDR). The qb-value is the adjusted p-value derived from the independent t-test in the follow-up and controls based on the FDR. The qc-value is the adjusted p-value derived from the independent t-test in the changed values and controls based on the FDR
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Lipids in Health and Disease

ISSN: 1476-511X