Table 4 A The 25 metabolites that have highest odds of QIA-predominant phenotype and B 25 metabolites that have the lowest odds of QIA-predominant phenotype compared to emphysema-predominant phenotype in multinomial logistic regression

Symmetric dimethylarginine (SMDA), Asymmetric dimethylarginine (ADMA)^‡

0003334,

0001539^‡

5.19

[2.01–13.40]

Amino Acid;

Urea cycle; Arginine and Proline Metabolism

Phenylalanine

0000159

5.04

[1.73–14.72]

Amino Acid;

Phenylalanine Metabolism

Asparagine

0000168

4.79

[1.99–11.54]

Amino Acid;

Alanine and Aspartate Metabolism

Sulfate

01448

4.05

[1.79–9.17]

Xenobiotics;

Chemical

Proline

0000162,

0003411

3.36

[1.61–7.03]

Amino Acid;

Urea cycle; Arginine and Proline Metabolism

Kynurenine

0000684

2.82

[1.48–5.34]

Amino Acid;

Tryptophan Metabolism

Erythronate

0000613

2.71

[1.46–5.04]

Carbohydrate;

Aminosugar Metabolism

N-acetyl-isoputreanine

2.64

[1.73–4.04]

Amino Acid;

Polyamine Metabolism

Alpha-Ketoglutaramate

0001552

2.57

[1.46–4.50]

Amino Acid;

Glutamate Metabolism

Gamma-Glutamylphenylalanine

0000594

2.49

[1.40–4.42]

Peptide;

Gamma-glutamyl Amino Acid

Phosphatidylethanolamine (16:0/18:2)

0005322

2.37

[1.65–3.40]

Lipid;

Phosphatidylethanolamine (PE)

Phosphatidylethanolamine (16:0/18:1)

0005320

2.31

[1.66–3.23]

Lipid;

Phosphatidylethanolamine (PE)

Aspartate

0000191

2.25

[1.40–3.61]

Amino Acid;

Alanine and Aspartate Metabolism

Lysophosphatidylethanolamine (16:0/0:0)

0011503

2.16

[1.30–3.58]

Lipid;

Lysophospholipid

Phosphatidylethanolamine (18:0/20:4)

0009003

2.10

[1.39–3.18]

Lipid;

Phosphatidylethanolamine (PE)

Phosphatidylethanolamine (16:0/20:4)

0005323

2.09

[1.43–3.04]

Lipid;

Phosphatidylethanolamine (PE)

3-Ureidopropionate

0000026

1.99

[1.40–2.83]

Nucleotide;

Pyrimidine Metabolism, Uracil containing

N-formylanthranilic acid

0004089

1.97

[1.32–2.95]

Amino Acid;

Tryptophan Metabolism

Phosphatidylethanolamine (18:0/18:2)

0008994

1.94

[1.37–2.74]

Lipid;

Phosphatidylethanolamine (PE)

Succinylcarnitine

0061717

1.92

[1.22–3.01]

Energy;

TCA Cycle

Quinolinate

0000232

1.89

[1.35–2.66]

Cofactors and Vitamins;

Nicotinate and Nicotinamide Metabolism

Gulonate

0003290

1.89

[1.25–2.87]

Cofactors and Vitamins;

Ascorbate and Aldarate Metabolism

Methionine sulfone

0062174

1.85

[1.26–2.70]

Amino Acid;

Methionine, Cysteine, SAM and Taurine Metabolism

1-Carboxyethylphenylalanine

1.81

[1.34–2.43]

Amino Acid;

Phenylalanine Metabolism

Glutamate

0000148

1.80

[1.25–2.61]

Amino Acid;

Glutamate Metabolism

Sphingomyelin (D18:1/20:1(11Z)),

Sphingomyelin (D18:2/20:0)^‡

0240610,

0240632^‡

0.31

[0.16–0.63]

Lipid;

Sphingomyelins

Thyroxine

0000248

0.32

[0.16–0.64]

Amino Acid;

Tyrosine Metabolism

Sphingomyelin (D18:1/18:1),

Sphingomyelin (D18:2/18:0)^‡

0012101

0.32

[0.16–0.66]

Lipid;

Sphingomyelins

Sphingomyelin (D18:1/18:0)

0001348

0.33

[0.16–0.68]

Lipid;

Sphingomyelins

Citrulline

0000904

0.41

[0.22–0.74]

Amino Acid;

Urea cycle; Arginine and Proline Metabolism

Sphingomyelin (D18:2/18:1)

0.43

[0.26–0.69]

Lipid;

Sphingomyelins

Eicosenoylcarnitine

0.47

[0.31–0.70]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

Oleoylcarnitine

0005065

0.49

[0.30–0.80]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

Stearoylethanolamide

0013078

0.50

[0.31–0.80]

Lipid;

Endocannabinoid

Glycerol

0000131

0.53

[0.38–0.74]

Lipid;

Glycerolipid Metabolism

N6,N6,N6-Trimethyl-L-lysine

0001325

0.55

[0.38–0.81]

Amino Acid;

Lysine Metabolism

Homostachydrine

0033433

0.59

[0.43–0.81]

Xenobiotics;

Food Component/Plant

9-Decenoylcarnitine

0013205

0.61

[0.44–0.84]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

9-Hexadecenoylcarnitine

0013207

0.62

[0.45–0.86]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

10-undecylenate

0033724

0.63

[0.47–0.85]

Lipid;

Medium Chain Fatty Acid

Myristoleoylcarnitine

0240588

0.63

[0.49–0.82]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

Trans-2-Dodecenoylcarnitine

13,326

0.64

[0.49–0.84]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated)

Dodecadienoate

0.66

[0.52–0.85]

Lipid;

Fatty Acid, Dicarboxylate

Decanoylcarnitine

0000651

0.67

[0.52–0.87]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)

Octanoylcarnitine

0000791

0.68

[0.53–0.88]

Lipid;

Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)

Linoelaidic acid,

Linoleic acid^‡

0006270,

0000673^‡

0.69

[0.54–0.87]

Lipid;

Long Chain Polyunsaturated Fatty Acid (n3 and n6)

gamma-Linolenic acid,

alpha-Linolenic acid^‡

0003073,

0001388^‡

0.71

[0.57–0.88]

Lipid;

Long Chain Polyunsaturated Fatty Acid (n3 and n6)

Vaccenic acid,

Elaidic acid,

cis-Vaccenic acid,

Oleic acid^‡

0003231,

0000573,

0240219,

0000207^‡

0.71

[0.56–0.90]

Lipid;

Long Chain Monounsaturated Fatty Acid

10Z-Heptadecenoic acid

0060038

0.74

[0.61–0.90]

Lipid;

Long Chain Monounsaturated Fatty Acid

7Z,10Z-Hexadecadienoic acid

0000477

0.74

[0.61–0.89]

Lipid;

Long Chain Polyunsaturated Fatty Acid (n3 and n6)