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Table 2 The details about the differential metabolites identified in PCOS patients

From: Untargeted metabolomic approach to study the serum metabolites in women with polycystic ovary syndrome

Class Metabolite HMDB ID Detection method Mass accuracy (PPM) FDR adjusted p value Fold change PCOS/Con
Acylcarnitine Palmitoylcarnitine(AcCa(16:0) HMDB0000222 M1 − 1.54 0.0386 0.742
Acylcarnitine Oleoylcarnitine(AcCa(18:1) HMDB0005065 M1 − 2.08 0.0019 0.585
Acylcarnitine Undecanoylcarnitine(AcCa(11:0) HMDB0013321 M1 − 1.68 0.0000 0.561
Acylcarnitine Isobutyryl-l-carnitine(AcCa(4:0) HMDB0000736 M1 − 0.47 0.0384 0.543
Acylcarnitine Tetradecanoylcarnitine(AcCa(14:0) HMDB0005066 M1 − 1.53 0.0120 0.534
Acylcarnitine Linoleyl carnitine(AcCa(18:2) HMDB0006469 M1 − 2.03 0.0034 0.504
Acylcarnitine Dodecenoylcarnitine(AcCa(12:1) HMDB0013326 M1 − 1.62 0.0242 0.456
Acylcarnitine 4-DecenoylcarnitineAcCa(10:1) HMDB0013205 M1 − 1.67 0.0242 0.451
Acylcarnitine Hexanoylcarnitine(AcCa(6:0) HMDB0000705 M1 − 0.55 0.0386 0.432
Acylcarnitine 9-Hexadecenoylcarnitine(AcCa(16:1) HMDB0013207 M1 − 1.33 0.0076 0.425
Acylcarnitine Tetradecenoylcarnitine(AcCa(14:1) HMDB0002014 M1 − 1.30 0.0218 0.399
Acylcarnitine Dodecanoylcarnitine(AcCa(12:0) HMDB0002250 M1 − 1.50 0.0112 0.398
Acylcarnitine Octanoylcarnitine(AcCa(8:0) HMDB0000791 M1 − 1.52 0.0271 0.359
Acylcarnitine Tetradecadiencarnitine(AcCa(14:2) HMDB0013331 M1 − 1.49 0.0239 0.346
Acylcarnitine Decanoylcarnitine(AcCa(10:0) HMDB0000651 M1 − 1.09 0.0152 0.346
Amino acid Aspartic acid HMDB0000191 M2 3.33 0.0000 1.920
Amino acid l-Glutamic acid HMDB0000148 M2 3.78 0.0000 1.764
Amino acid l-Cystine HMDB0000192 M2 1.79 0.0356 1.319
Amino acid l-Phenylalanine HMDB0000159 M1 − 0.20 0.0004 1.228
Amino acid Acetylspermidine HMDB0001276 M1 − 0.92 0.0300 0.786
Amino acid Taurine HMDB0000251 M2 3.78 0.0158 0.674
Amino acid 3-(2-Hydroxyphenyl)propanoic acid HMDB0033752 M2 3.36 0.0413 0.555
Amino acid Proline betaine HMDB0004827 M1 − 0.08 0.0098 0.405
Carbohydrate Glucaric acid HMDB0000663 M2 2.69 0.0459 1.961
Carbohydrate l-Lactic acid HMDB0000190 M2 3.88 0.0299 0.822
Cholesterol ester ChE(16:1)_ChE(16:1) HMDB0000658 M3 − 0.36 0.0475 1.435
Choline Glycerophosphocholine HMDB0000086 M1 − 0.92 0.0000 2.109
Diacylglycerol DG(34:2)_DG(16:0/18:2) HMDB0007103 M3 2.54 0.0000 3.358
Diacylglycerol DG(36:4)_DG(16:0/20:4) HMDB0007113 M3 2.35 0.0000 3.338
Diacylglycerol DG(34:1)_DG(16:0/18:1) HMDB0007101 M3 3.49 0.0000 3.260
Diacylglycerol DG(36:1)_DG(18:0/18:1) HMDB0007159 M3 2.88 0.0000 2.683
Diacylglycerol DG(34:3)_DG(16:1/18:2) HMDB0007132 M3 0.49 0.0000 2.509
Diacylglycerol DG(36:2)_DG(18:0/18:2) HMDB0007161 M3 1.49 0.0000 2.491
Diacylglycerol DG(34:2)_DG(16:1/18:1) HMDB0007131 M3 2.14 0.0008 2.271
Diacylglycerol DG(40:7)_DG(18:1/22:6) HMDB0007208 M3 − 0.89 0.0300 2.043
Diacylglycerol DG(38:4)_DG(18:1/20:3) HMDB0007198 M3 1.90 0.0051 1.835
Diacylglycerol DG(36:3)_DG(18:1/18:2) HMDB0007219 M3 2.40 0.0015 1.722
Diacylglycerol DG(36:4)_DG(18:2/18:2) HMDB0007248 M3 − 0.73 0.0075 1.716
Diacylglycerol DG(36:2)_DG(18:1/18:1) HMDB0007218 M3 3.21 0.0022 1.711
Diacylglycerol DG(40:6)_DG(18:1/22:5) HMDB0007207 M3 1.92 0.0493 1.610
Diacylglycerol DG(38:5)_DG(18:2/18:3) HMDB0007112 M3 1.76 0.0036 1.606
Diacylglycerol DG(38:4)_DG(18:0/20:4) HMDB0007170 M3 2.64 0.0020 1.560
Fatty acid Dihomo-alpha-linolenic acid (FFA(20:3n3) HMDB0060039 M2 1.69 0.0386 0.704
Fatty acid Myristoleic acid isomer2 HMDB0002000 M2 2.46 0.0343 0.517
Fatty acid Myristoleic acid isomer1 HMDB0002000 M2 2.46 0.0343 0.510
Glycerophosphocholine LysoPC(O-18:1/0:0) LMGP01060039 M1 − 0.46 0.0000 1.751
Glycerophosphocholine LysoPC(16:0e)   M1 − 1.00 0.0000 1.678
Glycerophosphocholine LysoPC(0:0/18:0) HMDB0011128 M1 − 0.65 0.0000 1.591
Glycerophosphocholine LysoPC(O-18:0/0:0) HMDB0011149 M1 − 0.63 0.0036 1.503
Glycerophosphocholine LysoPC(18:0/0:0) HMDB0010384 M1 − 0.42 0.0000 1.472
Glycerophosphocholine LysoPC(P-18:1/0:0) HMDB0010408 M1 − 0.41 0.0021 1.465
Glycerophosphocholine LysoPC(P-16:0/0:0) HMDB0010407 M1 − 0.96 0.0026 1.438
Glycerophosphocholine LysoPC(19:0)   M1 − 1.02 0.0076 1.412
Glycerophosphocholine LysoPC(20:1/0:0) HMDB0010391 M1 − 1.33 0.0483 1.311
Glycerophosphocholine PC(34:2)_PC(16:0/18:2) HMDB0007973 M3 − 0.45 0.0377 0.857
Glycerophosphocholine PC(32:0e)_PC(32:0e) LMGP01020029 M3 1.50 0.0480 0.812
Glycerophosphocholine PC(37:2)_PC(37:2)mixture HMDB0008592 M3 2.08 0.0417 0.785
Glycerophosphocholine PC(32:0p)_PC(32:0p) HMDB0011206 M3 1.11 0.0271 0.783
Glycerophosphocholine PC(36:2e)_PC(36:2e) HMDB0013418 M3 2.44 0.0413 0.774
Glycerophosphocholine PC(36:1p)_PC(18:0p/18:1) HMDB0008127 M3 2.44 0.0464 0.773
Glycerophosphocholine PC(34:0p)_PC(34:0p) HMDB0011239 M3 1.82 0.0152 0.767
Glycerophosphocholine PC(38:6p)_PC(38:6p) HMDB0011229 M3 − 1.62 0.0460 0.766
Glycerophosphocholine PC(34:2p)_PC(34:2p) HMDB0011211 M3 0.42 0.0143 0.753
Glycerophosphocholine PC(35:2)_PC(17:0/18:2) LMGP01011505 M3 − 2.68 0.0124 0.751
Glycerophosphocholine PC(34:1p)_PC(34:1p) HMDB0011210 M3 1.37 0.0153 0.750
Glycerophosphocholine LysoPC(18:2/0:0) HMDB0010386 M1 − 0.44 0.0292 0.743
Glycerophosphocholine PC(33:2)_PC(33:2) HMDB0007940 M3 − 2.06 0.0327 0.742
Glycerophosphocholine PC(36:3)_PC(16:0/20:3) HMDB0007980 M3 − 2.02 0.0319 0.737
Glycerophosphocholine LysoPC(0:0/18:2) HMDB0061700 M1 − 0.44 0.0358 0.732
Glycerophosphocholine PC(42:3)_PC(18:1/24:2)   M3 0.18 0.0352 0.708
Glycerophosphocholine PC(36:3)_PC(18:1/18:2) HMDB0008105 M3 − 2.02 0.0215 0.701
Glycerophosphocholine PC(32:1p)_PC(32:1p)   M3 − 2.43 0.0152 0.687
Glycerophosphocholine PC(40:7p)_PC(40:7p) HMDB0011295 M3 − 2.19 0.0271 0.687
Glycerophosphocholine PC(33:0e)_PC(18:0e/15:0)   M3 1.27 0.0300 0.679
Glycerophosphocholine PC(32:1e)_PC(32:1e) HMDB0013404 M3 − 0.67 0.0124 0.650
Glycerophosphocholine PC(35:2)_PC(35:2)   M3 0.99 0.0417 0.641
Glycerophosphocholine PC(35:3)_PC(35:3)   M3 − 2.26 0.0157 0.576
Glycerophosphocholine PC(30:0e)_PC(30:0e) HMDB0013341 M3 1.32 0.0480 0.536
Glycerophosphocholine PC(33:0p)_PC(33:0p) HMDB0011238 M3 0.39 0.0088 0.503
Glycerophosphoethanolamine LysoPE(0:0/22:6) HMDB0011496 M1 − 0.76 0.0466 0.788
Glycerophosphoethanolamine LysoPE(0:0/18:2) HMDB0011477 M1 − 1.03 0.0271 0.748
Glycerophosphoethanolamine PE(40:5)_PE(18:1/22:4) HMDB0009075 M3 − 1.19 0.0239 0.690
Glycerophosphoethanolamine LysoPE(20:4/0:0) HMDB0011517 M1 − 1.41 0.0376 0.635
Glycerophosphoethanolamine LysoPE(22:6/0:0) HMDB0011526 M1 − 0.88 0.0475 0.608
Glycerophosphoethanolamine LysoPE(18:2/0:0) HMDB0011507 M1 − 0.84 0.0304 0.591
Micorbial metabolites 3-(4-Hydroxyphenyl)propionic acid(Desaminotyrosine) HMDB0002199 M2 − 0.05 0.0000 19.657
Neutral glycosphingolipid CerG3GNAc1(d34:1)_Tetrahexosylceramide(d18:1/16:0) HMDB0004960 M3 1.29 0.0384 0.810
Neutral glycosphingolipid CerG2(d42:1)_LacCer(d18:1/24:0) HMDB0011595 M3 2.97 0.0343 0.762
Neutral glycosphingolipid CerG3(d42:2)_CerG3(d18:1/24:1) HMDB0004883 M3 3.52 0.0102 0.722
Neutral glycosphingolipid CerG3(d42:2)_CerG3(d42:2) HMDB0004883 M3 3.52 0.0102 0.722
Nucleoside and nucleotide Hypoxanthine HMDB0000157 M1 0.35 0.0000 1.587
Nucleoside and nucleotide Xanthine HMDB0000292 M1 − 0.03 0.0000 1.534
Nucleoside and nucleotide Inosine HMDB0000195 M2 0.44 0.0000 0.129
Organic acid Glutaric acid isomers HMDB0000661 M2 3.91 0.0384 1.107
Peptide Gly–Val/Val–Gly HMDB0028854/HMDB0029127 M2 3.53 0.0000 2.682
Peptide Glp–Gly HMDB0061890 M2 3.62 0.0000 2.348
Peptide Phe–Phe HMDB0013302 M2 2.02 0.0000 2.058
Peptide Phe–Trp HMDB0029006 M1 − 1.33 0.0000 1.868
Peptide Ser–Hyp/Hyp–Ser HMDB0029040/HMDB0028872 M1 − 0.35 0.0007 0.674
Peptide Glu–Ile HMDB0028822 M1 − 0.82 0.0088 0.635
Peptide Glu–Gln HMDB0028817 M2 0.67 0.0000 0.557
Peptide Leu–Leu/Leu–Ile HMDB0028933 M1 − 0.61 0.0000 0.367
Peptide Ile–Val/Leu–Val HMDB0028920/HMDB0028942 M1 − 0.53 0.0000 0.152
Peptide Leu–Ala/Ile–Ala HMDB0028922/HMDB0028900 M1 0.09 0.0000 0.080
Sphingolipid Sphingosine HMDB0000252 M1 − 1.44 0.0000 2.315
Sphingolipid Sphinganine 1-phosphate HMDB0001383 M1 − 1.74 0.0261 0.795
Triacylglycerol TG(46:0)_TG(16:0/14:0/16:0) HMDB0010411 M3 − 1.43 0.0315 2.198
Triacylglycerol TG(48:0)_TG(16:0/16:0/16:0) HMDB0005356 M3 − 0.85 0.0105 2.162
Triacylglycerol TG(50:0)_TG(18:0/16:0/16:0) HMDB0108576 M3 − 0.59 0.0075 2.091
Triacylglycerol TG(60:9)_TG(18:0/20:4/22:5) HMDB0045200 M3 − 0.79 0.0386 2.065
Triacylglycerol TG(52:1)_TG(18:0/16:0/18:1) HMDB0010431 M3 0.02 0.0075 2.059
Triacylglycerol TG(48:1)_TG(16:0/14:0/18:1) HMDB0010414 M3 − 1.12 0.0384 2.023
Triacylglycerol TG(54:6)_TG(16:0/16:0/22:6) HMDB0044613 M3 − 0.58 0.0239 1.996
Triacylglycerol TG(54:7)_TG(18:1/14:0/22:6) HMDB0049719 M3 0.61 0.0413 1.983
Triacylglycerol TG(56:6)_TG(18:0/16:0/22:6) HMDB0044747 M3 − 0.08 0.0271 1.920
Triacylglycerol TG(52:6)_TG(14:0/16:0/22:6) HMDB0042903 M3 0.80 0.0343 1.883
Triacylglycerol TG(48:2)_TG(12:0/18:1/18:1) LMGL03012670 M3 − 1.31 0.0465 1.868
Triacylglycerol TG(48:2)_TG(16:0/14:0/18:2) HMDB0010415 M3 − 1.31 0.0465 1.868
Triacylglycerol TG(50:1)_TG(16:0/16:0/18:1) HMDB0005360 M3 − 0.42 0.0157 1.841
Triacylglycerol TG(51:1)_TG(16:0/17:0/18:1) LMGL03010051 M3 3.30 0.0285 1.813
Triacylglycerol TG(54:4)_TG(18:0/16:0/20:4) HMDB0044738 M3 − 0.97 0.0102 1.801
Triacylglycerol TG(52:2)_TG(18:0/16:0/18:2) HMDB0044734 M3 − 0.09 0.0088 1.795
Triacylglycerol TG(52:4)_TG(16:0/16:0/20:4) HMDB0005363 M3 − 0.31 0.0234 1.789
Triacylglycerol TG(54:1)_TG(18:0/18:0/18:1) HMDB0005395 M3 2.99 0.0234 1.774
Triacylglycerol TG(47:2)_TG(14:0/15:0/18:2) HMDB0043227 M3 0.36 0.0413 1.733
Triacylglycerol TG(51:0)_ TG(18:0/16:0/17:0) HMDB0108587 M3 0.02 0.0290 1.727
Triacylglycerol TG(49:1)_TG(15:0/16:0/18:1) HMDB0043027 M3 − 0.54 0.0386 1.721
Triacylglycerol TG(49:1)_TG(49:1)   M3 − 0.54 0.0386 1.721
Triacylglycerol TG(54:2)_TG(18:0/18:0/18:2) HMDB0005397 M3 2.83 0.0158 1.714
Triacylglycerol TG(56:4)_TG(18:0/18:0/20:4) HMDB0044771 M3 − 0.07 0.0300 1.699
Triacylglycerol TG(50:2)_TG(16:0/16:0/18:2) HMDB0005362 M3 − 1.69 0.0155 1.674
Triacylglycerol TG(52:0)_TG(18:0/16:0/18:0) HMDB0044722 M3 2.83 0.0124 1.653
Triacylglycerol TG(53:1)_TG(15:0/22:0/16:1) HMDB0043112 M3 − 0.49 0.0457 1.641
Triacylglycerol TG(53:1)_TG(17:0/18:0/18:1) LMGL03010119 M3 − 0.49 0.0457 1.641
Triacylglycerol TG(56:7)_TG(16:0/18:1/22:6) HMDB0044135 M3 − 0.72 0.0457 1.599
Triacylglycerol TG(54:5)_TG(18:0/18:2/18:3) HMDB0045301 M3 0.28 0.0271 1.548
Triacylglycerol TG(54:5)_TG(16:0/18:1/20:4) HMDB0044098 M3 0.28 0.0271 1.548
Triacylglycerol TG(54:2)_TG(18:0/18:1/18:1) HMDB0005403 M3 − 0.41 0.0326 1.543
Triacylglycerol TG(54:6)_TG(16:0/16:1/22:5) HMDB0044591 M3 0.04 0.0343 1.538
Triacylglycerol TG(54:6)_TG(18:0/18:3/18:3) HMDB0052887 M3 0.04 0.0343 1.538
Triacylglycerol TG(54:6)_TG(16:0/18:1/20:5) HMDB0044133 M3 0.04 0.0343 1.538
Triacylglycerol TG(56:5)_TG(18:1/18:1/20:3) HMDB0049883 M3 − 0.64 0.0498 1.440
Unannoated X310-1-MZ310RT517   M1 − 1.13 0.0000 1.596
Unannoated X310-2-MZ310RT526   M1 − 2.61 0.0001 1.217
Unannoated X310-1-MZ310RT307   M1 − 1.63 0.0386 0.655
Unannoated X310-2-MZ310RT320   M1 − 1.73 0.0416 0.539
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BMC Medical Genomics

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