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PCA
PLS-DA
Analyte VIP score
Inosine 2.57
Uridine 5-monophosphate 2.47
Hypoxanthine 2.44
Cytidine 2',3'-cyclic monophosphoric acid 2.44
Fructose 6-phosphate 2.37
Cytidine 3'-monophosphate 2.32
FAHFA 34:1;O; FAHFA 16:0/18:1;O 2.31
SM 36:0;O2 2.27
N-Acetylaspartylglutamic acid 2.26
PS 36:1; PS 18:0_18:1 2.26
PC O-35:8 (2) 2.24
PC O-37:10 2.21
Glucose 1-phosphate 2.2
N-Acetylcarnosine 2.2
Uridine diphosphate glucose 2.19
Pentose X-phosphate 2.17
Glycocholic acid 2.15
Val-Leu 2.13
FA 34:2 2.09
CL 75:8; CL 18:1_18:2_18:2_21:3 2.07
Daidzein 2.07
Anserine 2.07
Cytidine 5'-monophosphate 2.07
Genistein-4'-glucuronide 2.06
Cer 38:0;O3; Cer 18:0;O3/20:0 2.06
HexCer 36:1;O2 2.05
FA 22:6;O 2.03
1-beta-Arabinofuranosyluracil 5'-monophosphate 2.03
FAHFA 36:2;O; FAHFA 18:1/18:1;O 2.01
FA 26:6 2.0
N6-Succinyladenosine 1.97
PE 38:2; PE 18:0_20:2 1.95
PE 37:2; PE 19:0_18:2 1.89
PS 38:3; PS 18:0_20:3 1.89
DG 36:5; DG 18:2_18:3 1.88
FA 31:1 1.87
FA 28:1 1.86
PC 37:8 1.84
FAHFA 28:0;O; FAHFA 4:0/24:0;O 1.83
Ser-Leu 1.82
Tyramine 1.81
PC O-44:6 1.77
Cer 40:0;O3; Cer 18:0;O3/22:0 1.76
Glutathione (reduced) 1.76
Daidzein 4'-sulfate 1.74
Cer 41:0;O3; Cer 18:0;O3/23:0 1.73
PE O-38:2 (1); PE O-20:0_18:2 1.73
PC 34:2;O; PC 16:0_18:2;O 1.7
Cysteine-S-sulfate 1.7
Ala-Leu 1.69
Phosphoenolpyruvic acid 1.68
5'-S-Methyl-5'-thioadenosine 1.68
PG 34:2 (1); PG 16:0_18:2 1.67
Carnosine 1.67
LPS 18:0 1.66
Cer 43:0;O3; Cer 18:0;O3/25:0 1.65
TG 43:2; TG 10:0_15:0_18:2 1.65
TG 45:2; TG 12:0_15:0_18:2 1.64
Cer 42:2;O3; Cer 18:0;O3/24:2 1.64
TG 38:1; TG 10:0_12:0_16:1 1.64
TG 32:0; TG 8:0_10:0_14:0 1.63
FA 32:0 1.6
CAR 18:3 1.6
Adenosine 3'-monophosphate 1.6
LPE 20:1 1.59
PS 40:6; PS 18:0_22:6 1.59
NAE 18:2 1.58
TG 42:3; TG 10:0_14:0_18:3 1.58
TG 36:2; TG 8:0_10:0_18:2 1.57
Cer 43:1;O3 1.57
TG 44:3; TG 8:0_18:1_18:2 1.57
TG 44:4 (1); TG 8:0_18:2_18:2 1.56
PC 30:2; PC 12:0_18:2 1.56
TG 45:3; TG 10:0_17:1_18:2 1.56
TG 48:6 (1); TG 10:0_18:2_20:4 1.55
TG 40:1; TG 10:0_12:0_18:1 1.55
TG 40:0; TG 10:0_14:0_16:0 1.55
TG 42:2; TG 10:0_14:0_18:2 1.55
LPE 22:6 1.54
PE 40:7;O; PE 20:4_20:3;O 1.54
TG 43:1; TG 10:0_15:0_18:1 1.54
FA 32:2 1.54
PE 32:1; PE 16:0_16:1 1.53
FA 36:1 1.53
PS 40:5; PS 18:0_22:5 1.53
PS 36:2; PS 18:0_18:2 1.52
FA 20:4;O2 1.51
PE O-40:8; PE O-18:2_22:6 1.51
FAHFA 27:0;O; FAHFA 3:0/24:0;O 1.51
TG 46:4 (1); TG 10:0_18:2_18:2 1.51
Guanosine 5'-monophosphate 1.51
Cadaverine 1.5
DG 32:1; DG 14:0_18:1 1.5
CAR 12:0 1.5
PS 34:1; PS 16:0_18:1 1.49
Sucrose 1.48
FA 38:1 1.48
TG 41:0; TG 10:0_15:0_16:0 1.48
TG 44:2; TG 10:0_16:0_18:2 1.48
FA 32:1 1.47
FA 34:1 1.47
Adenosine 5'-diphosphoribose 1.47
PC 36:4 (1); PC 18:2_18:2 1.46
PG 36:2; PG 18:1_18:1 1.46
TG 36:1; TG 8:0_10:0_18:1 1.46
Cytidine 5'-diphosphocholine 1.45
TG 41:2; TG 11:0_12:0_18:2 1.45
CAR 10:1 1.45
TG 50:7; TG 10:0_18:2_22:5 1.45
Hippuric acid 1.44
FAHFA 36:1;O; FAHFA 18:1/18:0;O 1.44
Tryptamine 1.44
Pantothenic acid 1.44
DG 36:4 (1); DG 18:2_18:2 1.44
LPE O-18:2 1.44
PC O-36:0 1.43
TG 41:1; TG 11:0_12:0_18:1 1.43
Riboflavin 1.43
CAR 20:1 1.41
TG 38:3; TG 8:0_12:0_18:3 1.4
CAR 22:0 1.4
Xanthine 1.4
TG 48:6 (2); TG 10:0_16:0_22:6 1.39
FA 22:5;O 1.39
PC 32:4; PC 12:0_20:4 1.39
FA 21:4 1.38
FA 21:3 1.37
TG 37:0; TG 10:0_12:0_15:0 1.37
PE O-38:7 (2); PE O-16:1_22:6 1.37
TG 44:4 (2); TG 12:0_14:0_18:4 1.36
TG 30:0; TG 8:0_10:0_12:0 1.36
TG 54:6 (1); TG 18:2_18:2_18:2 1.36
TG 46:4 (2); TG 10:0_16:0_20:4 1.35
PC O-38:8 1.35
TG 47:4; TG 11:0_18:2_18:2 1.35
TG 46:5; TG 10:0_18:2_18:3 1.35
FA 30:1 1.34
Cer 34:0;O3; Cer 18:0;O3/16:0 1.34
SM 34:0;O2 1.34
DG 40:6; DG 18:2_22:4 1.34
CAR 10:0 1.34
PE O-34:2; PE O-16:1_18:1 1.33
DG 28:2; DG 10:0_18:2 1.33
ST 27:1;O;S 1.33
Ectoine 1.33
TG 48:4 (1); TG 12:0_18:2_18:2 1.32
Inosine 5'-monophosphate 1.32
LPE O-17:1 1.32
CAR 5:1 1.32
Val-Ile 1.32
N-Acetyl-S-benzylcysteine 1.31
TG 46:3; TG 10:0_18:1_18:2 1.3
TG 35:0; TG 10:0_12:0_13:0 1.3
LPE 19:0 1.3
CAR 20:2 1.3
N6-Threonylcarbamoyladenosine 1.29
FA 20:2;O 1.29
TG 50:8; TG 10:0_18:2_22:6 1.29
PI 34:2; PI 16:0_18:2 1.28
CAR 17:0 1.28
S-Succinylcysteine 1.28
PS 38:1; PS 20:0_18:1 1.26
Cer 42:0;O3; Cer 18:0;O3/24:0 1.26
Pyridoxal 5-phosphate 1.26
LPC 19:0/0:0 1.26
LPE 22:5 1.25
LPG 18:0 1.25
TMAO 1.24
HexCer 34:1;O2; HexCer 18:1;O2/16:0 1.24
LPE 22:4 1.23
PI 36:2; PI 18:0_18:2 1.21
TG 42:1; TG 8:0_16:0_18:1 1.21
Citrulline 1.21
TG 42:4; TG 10:0_12:0_20:4 1.21
Argininosuccinic acid 1.21
DG 30:4; DG 10:0_20:4 1.21
Ile-Asp 1.21
TG 56:8 (1); TG 18:2_18:2_20:4 1.2
Cer 46:0;O3; Cer 20:0;O3/26:0 1.2
PC 32:1; PC 16:0_16:1 1.19
CAR 20:3 1.19
FA 25:1 1.19
CE 18:2 1.18
PC 37:2; PC 19:0_18:2 1.18
Uric acid 1.18
TG 40:2; TG 10:0_12:0_18:2 1.17
Glucose 1.17
TG 38:0; TG 10:0_12:0_16:0 1.17
DG 34:3; DG 16:1_18:2 1.15
Gluconic acid 1.14
FA 17:2 1.14
PE O-40:7; PE O-18:1_22:6 1.14
DG 34:4; DG 14:0_20:4 1.14
Xanthurenic acid 1.14
3-Indoxyl sulfate 1.14
FA 22:6 1.13
CAR 8:0;O 1.13
FA 23:1 1.13
CAR 18:2 1.13
PC 30:1; PC 14:0_16:1 1.13
TG 58:10 (1); TG 18:2_20:4_20:4 1.13
PE O-36:6; PE O-16:1_20:5 1.12
TG 52:8; TG 12:0_20:4_20:4 1.12
CAR 6:0;O (2) 1.12
TG 34:0; TG 10:0_12:0_12:0 1.12
TG 42:0; TG 12:0_14:0_16:0 1.11
SM 36:1;O2; SM 18:1;O2/18:0 1.11
N-Acetylneuraminate 1.1
PC O-38:7 1.1
FA 30:0 1.1
PE 40:8; PE 18:2_22:6 1.1
TG 38:4; TG 8:0_10:0_20:4 1.1
CAR 16:2 1.1
PE 34:2; PE 16:0_18:2 1.1
TG 36:0; TG 10:0_12:0_14:0 1.09
PC O-37:9 1.09
TG 58:11; TG 18:2_20:4_20:5 1.08
Taurine 1.08
LPE 20:4 1.08
Pro-Pro 1.08
Cer 46:1;O2; Cer 20:1;O2/26:0 1.08
TG 50:6 (1); TG 12:0_18:2_20:4 1.08
PC 33:2; PC 15:0_18:2 1.07
FA 21:1 1.07
PE 36:2; PE 18:1_18:1 1.07
N-Acetylcitrulline 1.07
N-Acetylputrescine 1.06
PG 36:4 (2); PG 16:0_20:4 1.06
FA 18:2 1.06
Adenosine 1.06
TG 52:1; TG 16:0_18:0_18:1 1.06
CAR 3:0 1.06
NAOrn 17:0;O 1.05
LPC 23:0/0:0 1.05
Aconitic acid, cis- 1.05
Trigonelline 1.05
TG 47:3; TG 12:0_17:1_18:2 1.04
PI 40:7; PI 18:1_22:6 1.04
PC 35:2; PC 17:0_18:2 1.04
Glu-Lys 1.04
TG 37:1; TG 9:0_10:0_18:1 1.04
Cer 42:1;O3; Cer 18:0;O3/24:1 1.03
TG 50:1; TG 16:0_16:0_18:1 1.03
TG 52:4 (1); TG 16:1_18:1_18:2 1.02
PI 32:0; PI 16:0_16:0 1.02
FA 20:4;O 1.02
Hypotaurine 1.01
SM 43:1;O2 1.01
Cer 36:1;O2; Cer 18:1;O2/18:0 1.01
CAR 4:1;O2 1.01
4-Acetamidobutanoic acid 1.01
FA 19:2 1.01
TG 51:4; TG 15:0_18:2_18:2 1.01
Pro-Asp 1.0
CAR 10:0;O 1.0
TG 44:1; TG 12:0_14:0_18:1 1.0
Val-Asp 0.99
Uridine 0.99
FA 18:3 0.99
TG 48:1; TG 14:0_16:0_18:1 0.99
N-Acetylaspartic acid 0.98
LPC 17:0/0:0 0.98
TG 40:3; TG 10:0_12:0_18:3 0.98
PC 24:0 0.98
Acetyl-beta-alanine 0.98
5-Methyl-2'-deoxycytidine 0.98
FA 26:1 0.97
SM 41:1;O2; SM 18:1;O2/23:0 0.97
LPE O-16:1 0.97
TG 38:2; TG 10:0_10:0_18:2 0.97
Cer 41:1;O2; Cer 18:1;O2/23:0 0.96
Cer 44:0;O3; Cer 20:0;O3/24:0 0.96
TG 46:2; TG 12:0_16:0_18:2 0.96
Glu-Gln 0.95
CAR 6:0;O (1) 0.94
FA 22:0;O 0.94
SM 40:4;O2 0.94
PC O-38:6 0.93
PC 39:4; PC 19:0_20:4 0.93
N-Acetylglucosamine 6-phosphate 0.93
PS 36:4; PS 16:0_20:4 0.93
TG O-52:2; TG O-18:1_16:0_18:1 0.93
TG 53:6; TG 15:0_18:2_20:4 0.93
LPC 20:1/0:0 0.92
DG 28:3; DG 10:0_18:3 0.92
PE 34:4; PE 14:0_20:4 0.92
N-Acetylvaline 0.92
TG 56:9; TG 18:2_18:3_20:4 0.92
PE 38:6 (2); PE 16:0_22:6 0.92
FA 25:0;O 0.92
PC 32:0; PC 16:0_16:0 0.91
PG 36:1; PG 18:0_18:1 0.91
GM3 34:1;O2 0.91
Pyridoxine 0.91
Betaine 0.91
SM 38:4;O2; SM 21:0;O2/17:4 0.91
TG 52:6 (2); TG 14:0_16:0_22:6 0.91
CoQ8 0.91
PC 34:0; PC 16:0_18:0 0.91
DG 30:3; DG 12:0_18:3 0.9
PC 30:3 0.9
FA 18:4 0.89
DG 36:3; DG 18:1_18:2 0.89
Ala-Ala 0.89
DLCL 36:4; DLCL 18:2_18:2 0.89
FAHFA 36:3;O; FAHFA 18:2/18:1;O 0.89
TG 43:0; TG 10:0_16:0_17:0 0.89
Flavin adenine dinucleotide 0.89
PE O-34:3; PE O-16:1_18:2 0.89
Cer 42:0;O4; Cer 18:0;O3/24:0;(OH)2 0.88
FA 18:0;O 0.88
PC 34:2; PC 16:0_18:2 0.88
Kynurenine 0.88
TG 54:2; TG 16:0_18:1_20:1 0.88
Spermidine 0.88
Trimethyllysine 0.88
TG 44:0; TG 10:0_16:0_18:0 0.88
CAR 16:1 (2) 0.87
PC 36:1; PC 18:0_18:1 0.87
PC O-39:10 0.86
LPC 20:0/0:0 0.86
Cer 36:2;O2; Cer 18:2;O2/18:0 0.86
CoQ9 0.85
PE 40:6; PE 18:0_22:6 0.85
PC 31:2 0.85
Ala-Val 0.85
PI 38:6 (1); PI 18:2_20:4 0.85
Histamine 0.85
Cer 43:1;O2; Cer 18:1;O2/25:0 0.84
PC 34:1; PC 16:0_18:1 0.84
CE 20:4 0.84
CAR 14:0 0.84
Pyruvic acid 0.84
FA 20:2 0.84
SM 38:1;O2 0.84
TG 48:4 (2); TG 12:0_16:0_20:4 0.84
LPC 16:1/0:0 0.83
DG 30:1; DG 12:0_18:1 0.83
TG 58:5; TG 18:0_18:1_22:4 0.83
TG 57:2; TG 16:0_23:0_18:2 0.83
CAR 14:0;O 0.83
FA 26:5 0.82
CAR 14:1 0.82
SM 28:1;O2 0.82
TG 50:6 (2); TG 12:0_16:0_22:6 0.82
FAHFA 28:1;O; FAHFA 4:0/24:1;O 0.82
PI 30:0; PI 14:0_16:0 0.82
CAR 20:0 0.81
Cer 46:1;O3; Cer 20:0;O3/26:1 0.81
FA 16:2 0.81
PC 40:2 0.81
Phenylalanine 0.81
PC 38:6 (1); PC 18:2_20:4 0.8
CAR 12:0;O 0.8
Cer 41:2;O2; Cer 18:2;O2/23:0 0.8
TG 62:14; TG 20:4_20:4_22:6 0.8
SM 42:2;O3 0.8
TG 54:1; TG 16:0_20:0_18:1 0.8
LPC 20:5/0:0 (2) 0.8
PC 38:3; PC 18:0_20:3 0.79
PC 44:8 0.79
FAHFA 24:0;O; FAHFA 4:0/20:0;O 0.79
TG 52:2; TG 16:0_18:0_18:2 0.79
PG 34:1; PG 16:0_18:1 0.79
NAGly 31:1;O2; NAGly 16:0;O(FA 15:0) 0.79
Aspartic acid 0.79
LPC 18:2/0:0 0.79
Thr-Thr 0.79
HexCer 41:1;O2 0.79
FA 20:1 0.79
FA 24:5 0.78
PG 32:0; PG 16:0_16:0 0.78
LPE 18:1 0.77
PC O-35:8 (1) 0.77
N,N-Dimethylguanosine 0.77
FA 24:4 0.77
FA 28:6;O 0.77
PC 31:1 0.77
DG 38:6; DG 16:0_22:6 0.77
TG 48:3; TG 12:0_18:1_18:2 0.77
PE O-38:7 (1); PE O-18:3_20:4 0.77
FA 24:3 0.77
Glycero-3-phosphocholine 0.76
Cer 36:0;O3; Cer 18:0;O3/18:0 0.76
TG 52:6 (1); TG 16:1_18:2_18:3 0.76
FA 25:0 0.76
PC 30:0; PC 14:0_16:0 0.76
LPC 20:2/0:0 0.76
Glu-Phe 0.76
Ser-Ile 0.76
LPC 18:0/0:0 0.75
DG 32:2; DG 14:0_18:2 0.75
3-Hydroxybutyric acid 0.75
Deoxycytidine 0.75
TG 60:4; TG 18:1_24:1_18:2 0.75
TG 50:4 (1); TG 14:0_18:2_18:2 0.75
FA 23:0 0.75
PC 36:2; PC 18:1_18:1 0.75
TG O-50:2; TG O-16:0_16:0_18:2 0.75
CAR 14:2;O 0.74
DG 36:1; DG 18:0_18:1 0.74
PC O-34:1 0.74
TG 50:4 (2); TG 14:0_16:0_20:4 0.73
Allothreonine 0.73
LPC 15:0/0:0 0.73
DG 32:0; DG 16:0_16:0 0.73
PE O-36:5; PE O-16:1_20:4 0.72
CAR 16:0 0.72
PI 40:5; PI 18:0_22:5 0.72
Ser-Glu 0.72
PC 37:4; PC 17:0_20:4 0.72
Succinic acid 0.71
Biopterin 0.71
5-Aminovaleric acid betaine 0.71
TG 52:4 (2); TG 16:0_16:0_20:4 0.71
Cer 34:1;O3; Cer 18:1;O2/16:0;(OH)2 0.71
PC 28:0; PC 14:0_14:0 0.71
DG 38:4; DG 18:0_20:4 0.71
TG 58:10 (2); TG 16:0_20:4_22:6 0.71
gamma-Glu-Gln 0.71
PC O-41:11 0.71
TG 60:6; TG 18:1_20:1_22:4 0.7
TG 60:12; TG 18:2_20:4_22:6 0.7
N-Acetylthreonine 0.7
TG 54:6 (2); TG 16:0_18:2_20:4 0.7
FA 26:0 0.7
FA 22:5 (1) 0.7
TG O-54:2; TG O-20:0_16:0_18:2 0.7
Pseudouridine 0.69
Cer 34:2;O2; Cer 18:2;O2/16:0 0.69
FA 19:1 0.69
PC 35:4; PC 15:0_20:4 0.69
PI 38:6 (2); PI 16:0_22:6 0.69
SM 41:2;O2; SM 18:2;O2/23:0 0.69
Choline 0.68
TG 39:0; TG 12:0_13:0_14:0 0.68
DG 38:5; DG 16:0_22:5 0.68
Serotonin 0.68
DG 40:8; DG 18:2_22:6 0.68
PC 36:6; PC 14:0_22:6 0.67
PC 40:1 0.67
Phenol sulfate 0.67
FA 14:0 0.67
TG 51:3; TG 15:0_18:1_18:2 0.66
TG 46:1; TG 12:0_16:0_18:1 0.66
PE O-38:5 (1); PE O-16:1_22:4 0.66
PE O-35:5; PE O-15:1_20:4 0.66
Adenine 0.66
Val-Glu 0.66
PC 42:1 0.65
PC 42:2; PC 24:0_18:2 0.65
FA 24:1 0.65
Vanillin-4-sulfate 0.65
TG 60:11; TG 18:2_20:4_22:5 0.65
PC 34:3; PC 16:0_18:3 0.65
FA 18:1;O 0.65
Phenylacetylaspartic acid 0.65
SM 40:1;O2; SM 18:1;O2/22:0 0.65
CAR 8:0 0.65
TG 45:1; TG 14:0_15:0_16:1 0.65
Cer 44:1;O2; Cer 20:1;O2/24:0 0.64
Leucine 0.64
Cytosine 0.64
PG 34:2 (2); PG 16:0_18:2 0.64
PE O-38:2 (2); PE O-18:1_20:1 0.64
TG 54:8; TG 14:0_18:2_22:6 0.63
TG 51:1; TG 16:0_17:0_18:1 0.63
CAR 18:1 0.63
FA 19:0 0.63
Glucuronic acid 0.63
PE O-37:5; PE O-17:1_20:4 0.63
PC O-38:4 (2) 0.63
TG 48:0; TG 15:0_16:0_17:0 0.63
SM 39:1;O2 0.63
DG 36:4 (2); DG 16:0_20:4 0.63
PC 42:5; PC 22:1_20:4 0.63
FA 22:5 (2) 0.62
Fumaric acid 0.62
LPI 20:4 0.62
PC O-30:1 0.62
Sarcosine 0.62
gamma-Glu-Glu 0.61
N-Acetylserine 0.61
FA 24:0 0.6
PE 38:6 (1); PE 18:2_20:4 0.6
Glutaric acid 0.6
LPI 18:0 0.6
Indolelactic acid 0.6
CAR 4:0;O 0.6
Stachydrine (proline betaine) 0.6
PE O-36:2; PE O-18:1_18:1 0.59
TG 49:1; TG 15:0_16:0_18:1 0.59
FA 18:1 0.59
PI 36:1; PI 18:0_18:1 0.59
HexCer 40:1;O2 0.59
Pipecolic acid 0.59
LPC 20:5/0:0 (1) 0.58
1-Methylhistidine 0.58
LPC 22:0/0:0 0.58
Cer 34:1;O2; Cer 18:1;O2/16:0 0.58
FA 22:3 0.58
PC 38:6 (2); PC 16:0_22:6 0.58
4-Pyridoxic acid 0.58
PC O-34:2 0.58
FA 20:5 (1) 0.57
TG 56:5; TG 16:0_18:1_22:4 0.57
PC 32:2; PC 16:1_16:1 0.57
CAR 5:0 0.57
TG 54:3; TG 18:0_18:1_18:2 0.57
Carnitine 0.56
TG 47:2; TG 14:0_15:0_18:2 0.56
NAOrn 19:0;O 0.56
Methionine 0.56
PC O-38:4 (1) 0.56
N-Acetylmethionine 0.56
Ergothioneine 0.56
N-Acetylornithine 0.55
FA 14:1 0.55
Tryptophan 0.55
FA 22:4 0.55
Ornithine 0.55
FA 20:3 0.55
LPC 22:1/0:0 0.55
TG 45:0; TG 14:0_15:0_16:0 0.55
Cer 38:1;O2; Cer 18:1;O2/20:0 0.54
PC 44:4 0.54
FA 22:2 0.54
LPC 16:0/0:0 0.54
TG 53:2; TG 17:0_18:1_18:1 0.54
Dimethylarginine 0.54
CAR 6:0 0.54
PE 42:7;O; PE 20:4_22:3;O 0.53
LPC 24:2/0:0 0.53
CAR 15:0 0.53
Threonine 0.53
Nicotinamide 0.53
Glycine 0.53
PE 40:5; PE 18:0_22:5 0.53
PC 38:5; PC 18:1_20:4 0.53
TG 56:8 (2); TG 16:0_18:2_22:6 0.53
PE 34:1; PE 16:0_18:1 0.53
N-Acetylgalactosamine 4-sulfate 0.52
Orotic acid 0.52
FA 22:1 0.52
TG 46:0; TG 12:0_16:0_18:0 0.52
N-Acetylglutamic acid 0.52
Allantoin 0.52
PC 33:1; PC 15:0_18:1 0.52
SM 36:2;O2; SM 18:1;O2/18:1 0.52
TG 48:2; TG 14:0_16:0_18:2 0.52
TG 50:2; TG 16:0_16:0_18:2 0.51
CAR 18:0 0.51
PC O-36:4 0.51
Thymine 0.51
Malic acid 0.51
LPC O-16:0 0.51
PC O-37:8 0.51
Thymidine 0.51
TG 60:2; TG 16:0_26:0_18:2 0.51
FA 20:5 (2) 0.51
PC O-38:5 0.5
PE O-38:5 (2); PE O-18:1_20:4 0.5
PC 44:5 0.5
FA 26:2 0.5
SM 34:1;O2; SM 18:1;O2/16:0 0.5
CAR 20:4 0.49
FA 22:0 0.49
N-Acetylalanine 0.49
FA 24:6 0.49
TG 53:3; TG 17:0_18:1_18:2 0.49
Xanthosine 0.49
LPC 22:6/0:0 0.49
LPE 18:0 0.48
LPE 16:0 0.48
PE 36:4; PE 16:0_20:4 0.48
FA 28:0 0.47
FA 27:0 0.47
TG 62:11; TG 18:2_22:4_22:5 0.47
PC 34:4; PC 14:0_20:4 0.47
CAR 2:0 0.47
gamma-Glu-Leu 0.47
TG 55:2; TG 18:0_18:1_19:1 0.47
Piperidine 0.47
DG 34:1; DG 16:0_18:1 0.47
PE O-39:5; PE O-17:1_22:4 0.46
alpha-Hydroxyglutaric acid 0.46
LPC 20:3/0:0 0.46
PC 42:4 (2) 0.46
SM 42:2;O2; SM 18:1;O2/24:1 0.46
Cer 42:1;O2; Cer 18:1;O2/24:0 0.46
TG 56:3; TG 20:0_18:1_18:2 0.46
Tyrosine 0.46
trans-Crotonobetaine 0.45
N-gamma-Glu-Leu 0.45
DG 30:0; DG 14:0_16:0 0.45
N,N-Dimethylvaline 0.45
Cer 33:1;O2; Cer 17:1;O2/16:0 0.45
1-Methyladenosine 0.44
FA 17:0 0.44
PE 38:4; PE 18:0_20:4 0.44
Malonic acid 0.44
FA 21:0 0.44
SM 33:1;O2; SM 17:1;O2/16:0 0.44
CAR 4:0 0.44
PE O-40:5; PE O-18:1_22:4 0.44
CL 92:4; CL 18:0_26:0_28:0_20:4 0.44
FA 24:2 0.44
4-Hydroxyisoleucine 0.43
TG 56:2; TG 16:0_18:1_22:1 0.43
PI 36:4; PI 16:0_20:4 0.43
FA 16:0 0.43
PC 36:4 (2); PC 16:0_20:4 0.43
HexCer 34:0;O3 0.43
Aconitic acid, trans- 0.42
TG 47:1; TG 15:0_16:0_16:1 0.42
FA 20:4 0.42
S-Adenosylhomocysteine 0.42
LPG 16:0 0.42
FA 18:0 0.42
N1-Acetylspermidine 0.42
Cer 32:1;O2; Cer 18:1;O2/14:0 0.42
Ile-Ser 0.41
CE 18:1 0.41
TG 60:10; TG 18:1_20:4_22:5 0.41
CAR 16:1 (1) 0.41
TG 58:3; TG 16:0_24:1_18:2 0.41
DG 36:2; DG 18:0_18:2 0.41
PE 38:3; PE 18:0_20:3 0.41
Gly-Leu 0.41
Pro-hydroxy-Pro 0.4
Thiamine 0.4
PC 35:1; PC 17:0_18:1 0.4
PC 40:6; PC 20:2_20:4 0.4
3-Hydroxyisobutyric acid 0.4
FA 16:0;O 0.39
LPC 24:1/0:0 0.39
LPE 22:0 0.39
PC 38:4; PC 18:0_20:4 0.39
Citric acid 0.39
FA 17:1 0.39
alpha-Aminoadipic acid 0.39
Pro-Ala 0.38
Cer 42:2;O2; Cer 18:2;O2/24:0 0.38
Creatine 0.38
Ophthalmic acid 0.38
TG 51:2; TG 16:0_17:1_18:1 0.38
gamma-Glu-Tyr 0.38
N-Acetylhistidine 0.38
DG 40:4; DG 18:0_22:4 0.38
SM 36:5;O2 0.38
PC O-36:2 0.38
Suberic acid 0.37
FA 15:0 0.37
SM 34:2;O2; SM 18:2;O2/16:0 0.37
Pyridoxal 0.37
PC 36:0; PC 18:0_18:0 0.37
PE 36:1; PE 18:0_18:1 0.37
LPC 18:3/0:0 0.37
LPC 14:0/0:0 0.37
Urocanic acid 0.37
Glutamic acid 0.36
LPE 24:0 0.36
PE 39:4; PE 19:0_20:4 0.36
Cer 44:2;O2; Cer 18:1;O2/26:1 0.36
SM 32:1;O2; SM 16:1;O2/16:0 0.36
FA 20:0 0.35
PC 29:0 0.35
LPC 20:4/0:0 (2) 0.34
FA 13:0 0.34
Disaccharide 0.34
CE 22:6 0.33
TG 58:2; TG 16:0_18:1_24:1 0.33
PC O-30:0 0.33
LPE 18:2 0.33
PC 41:1 0.33
PE 39:6; PE 17:0_22:6 0.33
FA 16:1 0.32
LPS 17:0 0.32
PE 38:5; PE 18:1_20:4 0.32
PC 37:6; PC 15:0_22:6 0.32
alpha-Ketoglutaric acid 0.32
PC 42:4 (1) 0.32
LPC 18:1/0:0 0.31
Cer 38:2;O2; Cer 18:2;O2/20:0 0.31
LPC 20:4/0:0 (1) 0.31
Cer 42:3;O2; Cer 18:2;O2/24:1 0.3
HexCer 42:1;O2 0.3
Phenylacetaldehyde 0.3
N-Acetylleucine 0.3
N-Acetylarginine 0.3
PI 38:4; PI 18:0_20:4 0.29
NAE 18:0 0.29
TG 52:3; TG 16:0_18:1_18:2 0.29
Methionine sulfoxide 0.29
Creatinine 0.28
N,N-Dimethylarginine 0.28
1-Methyluric acid 0.28
PC 33:0; PC 16:0_17:0 0.28
PE 40:4; PE 18:0_22:4 0.27
Arginine 0.27
NAE 16:0 0.27
LPG 18:2 0.27
N-Acetylglucosaminylasparagine 0.27
PC 38:2; PC 18:0_20:2 0.27
Cer 40:1;O2; Cer 18:1;O2/22:0 0.27
TG 54:7; TG 16:0_18:2_20:5 0.26
Cer 30:1;O2; Cer 18:1;O2/12:0 0.26
Ala-Ile 0.26
N-Acetylphenylalanine 0.25
Cytidine 0.25
FA 15:1 0.25
PC 40:5; PC 18:0_22:5 0.25
N-Acetylhistamine 0.25
LPC 24:0/0:0 0.24
Oxalic acid 0.24
TG 56:1; TG 16:0_22:0_18:1 0.23
PI 38:5; PI 18:1_20:4 0.23
SM 40:2;O2; SM 18:2;O2/22:0 0.23
Acetylcholine 0.23
Isoleucine 0.23
TG 58:8; TG 18:1_18:2_22:5 0.23
2-Hydroxybutyric acid 0.22
LPC 22:5/0:0 0.22
Cer 40:2;O2; Cer 18:2;O2/22:0 0.22
LPC 22:4/0:0 0.21
TG 50:3; TG 14:0_18:1_18:2 0.21
Isocitric acid 0.21
Alanine 0.21
LPE 20:2 0.2
Urea 0.2
N-epsilon-Methyllysine 0.2
PC O-34:0 0.2
Lactic acid 0.2
Gly-Glu 0.19
PC 31:0; PC 15:0_16:0 0.18
Lysine 0.18
Proline 0.18
Serine 0.18
PI 38:3; PI 18:0_20:3 0.18
NAOrn 27:1;O 0.16
DG 40:7; DG 18:2_22:5 0.16
Cysteic acid 0.16
LPI 15:0 0.16
Histidine 0.16
SM 42:1;O2; SM 18:1;O2/24:0 0.16
PE O-36:3; PE O-18:2_18:1 0.16
TG 54:5; TG 16:0_18:1_20:4 0.15
Cystine 0.14
Val-Gln 0.14
SM 42:3;O2; SM 29:2;O2/13:1 0.13
Nicotinic acid 0.13
LPE 17:0 0.13
Cysteine-glutathione disulfide 0.13
Asparagine 0.12
FAHFA 40:4;O; FAHFA 22:4/18:0;O 0.12
FA 24:0;O 0.1
SM 38:2;O2; SM 21:0;O2/17:2 0.09
Glutamine 0.05
Model performance: Q2 = 0.996, p < 0.001 (based on 1000 permutations, 5-fold cross-validation).
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Explorer data - PCA, PLS-DA

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