Table 2.
List of Metabolites Associated with Obese-Control Maternal Status, Selected by Elastic Net Regularization-Based Logistic Regressiona
| fold changeb (obese—normal-weight) |
||||||
|---|---|---|---|---|---|---|
| ID | metabolite biochemical name | abbreviation | class | PubChem ID | log FC | P_value |
| 1 | 2-hydroxy-3-methylbutyric acid | 2-hydroxy-3-methylbutyric acid | hydroxy fatty acids | 99823 | −0.66 | 0.01 |
| 2 | galactonic acid | galactonic acid | medium-chain hydroxy acids | 128869 | −0.63 | 0.02 |
| 3 | phosphatidylcholine acyl-alkyl C40:3 | PC ae C40:3 | glycerophospholipid | 53481745 | −0.62 | 0.02 |
| 4 | propionylcarnitine | C3 | AC | NA | −0.56 | 0.03 |
| 5 | phosphatidylcholine diacyl C40:3 | PC aa C40:3 | glycerophospholipid | 52922703 | −0.56 | 0.03 |
| 6 | O-butanoyl-carnitine, butenylcarnitine | C4:1 | AC | NA | −0.56 | 0.03 |
| 7 | hexanoylcarnitine, fumarylcarnitine | C6 (C4:1-DC) | AC | NA | −0.54 | 0.04 |
| 8 | phosphatidylcholine diacyl C40:2 | PC aa C40:2 | glycerophospholipid | 24779063 | −0.48 | 0.07 |
| 9 | benzoic acid | benzoic acid | organic compound (benzoic acids) | 243 | −0.45 | 0.08 |
| 10 | hydroxyhexadecenoylcarnitine | C16:1-OH | AC | NA | 0.45 | 0.09 |
| 11 | myoinositol | myoinositol | cyclic polyalcohol | NA | 0.39 | 0.14 |
| 12 | 1,5-anhydrosorbitol | 1,5-anhydrosorbitol | monosaccharides | 64960 | −0.37 | 0.16 |
| 13 | isovalerylcarnitine, valerylcarnitine, methylbutyrylcarnitine | C5 | AC | NA | −0.37 | 0.16 |
| 14 | phosphatidylcholine acyl-alkyl C40:2 | PC ae C40:2 | glycerophospholipid | 53481739 | −0.32 | 0.22 |
| 15 | 2-hydroxybutyric acid | 2-hydroxybutyric acid | organic compounds (α-hydroxy acids) | 11266 | 0.32 | 0.22 |
| 16 | glutaconylcarnitine, mesaconylcarnitine | C5:1-DC | AC | NA | 0.27 | 0.30 |
| 17 | l-arabitol | l-arabitol | sugar alcohols | 439255 | −0.27 | 0.31 |
| 18 | phosphatidylcholine acyl-alkyl C40:6 | PC ae C40:6 | glycerophospholipid | 24779341 | 0.26 | 0.32 |
| 19 | octadecenoylcarnitine | C18:1 | AC | NA | −0.23 | 0.38 |
| 20 | phosphatidylcholine acyl-alkyl C34:3 | PC ae C34:3 | glycerophospholipid | 53481709 | 0.22 | 0.40 |
| 21 | phosphatidylcholine diacyl C36:5 | PC aa C36:5 | glycerophospholipid | 24778723 | 0.22 | 0.41 |
| 22 | oleic acid | oleic acid | unsaturated fatty acid | 445639 | 0.20 | 0.45 |
| 23 | phosphatidylcholine acyl-alkyl C36:2 | PC ae C36:2 | glycerophospholipid | 6443070 | 0.19 | 0.46 |
| 24 | indoxyl sulfate | indoxyl sulfate | arylsulfates | 10258 | −0.18 | 0.49 |
| 25 | isoleucine | isoleucine | AAs | 6306 | 0.16 | 0.55 |
| 26 | phosphatidylcholine acyl-alkyl C34:0 | PC ae C34:0 | glycerophospholipid | 11803170 | 0.09 | 0.73 |
| 27 | citric acid | citric acid | organic compounds (tricarboxylic acids) | 311 | 0.06 | 0.82 |
| 28 | l-aspartic acid | l-aspartic acid | organic compounds (aspartic acid) | 5960 | 0.04 | 0.89 |
| 29 | malic acid | malic acid | organic compounds (beta hydroxy acids) | 525 | 0.01 | 0.98 |
| ID | metabolite biochemical name | ChEBI | METLIN | KEGG | InChiKey | |
| 1 | 2-hydroxy-3-methylbutyric acid | 60645 | 5396 | NGEWQZIDQIYUNV-UHFFFAOYSA-N | ||
| 2 | galactonic acid | 16534 | 3336 | C00880 | RGHNJXZEOKUKBD-MGCNEYSASA-N | |
| 3 | phosphatidylcholine acyl-alkyl C40:3 | NA | NA | UMEDQTSZFVUAIR-PBXDXGQFSA-N | ||
| 4 | propionylcarnitine | NA | NA | NA | UFAHZIUFPNSHSL-UHFFFAOYSA-N | |
| 5 | phosphatidylcholine diacyl C40:3 | NA | NA | C00157 | LZXZOHSYOCWXFB-DWTYVZKUSA-N | |
| 6 | O-butanoyl-carnitine, butenylcarnitine | NA | NA | NA | ||
| 7 | hexanoylcarnitine, fumarylcarnitine | NA | NA | NA | VVPRQWTYSNDTEA-UHFFFAOYSA-N | |
| 8 | phosphatidylcholine diacyl C40:2 | NA | NA | C00157 | FVYIRCQXEGIKHY-QYQAGSNQSA-N | |
| 9 | benzoic acid | 30746 | 1297 | C00180 | WPYMKLBDIGXBTP-UHFFFAOYSA-N | |
| 10 | hydroxyhexadecenoylcarnitine | NA | NA | NA | WAGYLURELCUJPG-RPZXQYRRSA-N | |
| 11 | myoinositol | 17268 | 5221 | C00137 | CDAISMWEOUEBRE-GPIVLXJGSA-N | |
| 12 | 1,5-anhydrosorbitol | 16070 | 3775 | C07326 | MPCAJMNYNOGXPB-SLPGGIOYSA-N | |
| 13 | isovalerylcarnitine, valerylcarnitine, methylbutyrylcarnitine | NA | NA | NA | IGQBPDJNUXPEMT-UHFFFAOYSA-N | |
| 14 | phosphatidylcholine acyl-alkyl C40:2 | NA | NA | OQRGDDBNUMCNLP-ABEXPZPBSA-N | ||
| 15 | 2-hydroxybutyric acid | 1148 | 3783 | C05984 | AFENDNXGAFYKQO-UHFFFAOYSA-N | |
| 16 | glutaconylcarnitine, mesaconylcarnitine | NA | NA | NA | JXVUHLILXGZLFR-DNQSNQRASA-N | |
| 17 | l-arabitol | 18403 | 141 | C00532 | HEBKCHPVOIAQTA-IMJSIDKUSA-N | |
| 18 | phosphatidylcholine acyl-alkyl C40:6 | NA | NA | QBZALASVZLFAHF-KYPHJRDXSA-N | ||
| 19 | octadecenoylcarnitine | NA | NA | NA | DGNPJQDFCXFOEZ-OEPBMOORSA-N | |
| 20 | phosphatidylcholine acyl-alkyl C34:3 | NA | NA | QLEHHUPUHJPURI-PWYDUFMYSA-N | ||
| 21 | phosphatidylcholine diacyl C36:5 | NA | NA | C00157 | KLTHQSWIRFFBRI-CPFPVJFHSA-N | |
| 22 | oleic acid | 16196 | 190 | C00712 | ZQPPMHVWECSIRJ-KTKRTIGZSA-N | |
| 23 | phosphatidylcholine acyl-alkyl C36:2 | NA | NA | FDNRZRXSENYWER-JTLDGTJHSA-N | ||
| 24 | indoxyl sulfate | 43355 | 524 | BXFFHSIDQOFMLE-UHFFFAOYSA-N | ||
| 25 | isoleucine | 17191 | 5193 | C00407 | AGPKZVBTJJNPAG-WHFBIAKZSA-N | |
| 26 | phosphatidylcholine acyl-alkyl C34:0 | NA | NA | PXPSGTINXJQLBR-VQJSHJPSSA-N | ||
| 27 | citric acid | 30769 | 124 | C00158 | KRKNYBCHXYNGOX-UHFFFAOYSA-N | |
| 28 | l-aspartic acid | 17053 | 5206 | C00049 | CKLJMWTZIZZHCS-REOHCLBHSA-N | |
| 29 | malic acid | 6650 | 118 | C00711 | BJEPYKJPYRNKOW-UHFFFAOYSA-N | |
a
Metabolites are sorted by the average log fold change of cases over controls.
b
Fold change was calculated as mean (log2(obese)) – mean (log2(control)).