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