Table 4.
Identified/annotated metabolites perturbed between mice fed HCHF versus HP diet.
| 1Metabolite names | 2Ontology | 3Fold changes of HCHF vs. HP |
|---|---|---|
| Adenosine | OL2b | −2.3 |
| ADP-ribose | PDa | −2.7 |
| Pro Gly Asn | PDa | −38 |
| 5-hydroxyindoleacetate | OL1 | −2 |
| Allocholic acid | OL1 | −3.9 |
| Argininosuccinic acid | OL1 | −2.1 |
| Biliverdin | OL1 | 2.7 |
| Glycocholate | OL1 | −3.9 |
| Indole-3-ethanol | OL1 | −2.6 |
| Pterine | OL1 | −3.5 |
| Sphinganine | OL1 | 2.3 |
| 27-Hydroxycholesterol | OL2a | 3 |
| 3-Indolepropionate | OL2a | −2.3 |
| 3-Methoxytyrosine | OL2a | −6.9 |
| 3-Methyladenine | OL2a | −2.6 |
| Butenylcarnitine | OL2a | −2.2 |
| Coprocholic acid | OL2a | −4.1 |
| Dehydrolithocholic acid | OL2a | −3.5 |
| Homocysteine thiolactone | OL2a | 2.4 |
| Kynurenine | OL2a | −2.9 |
| L-Tyrosine | OL2a | −5 |
| L-Tyrosine isomer or derivatives | OL2a | −4 |
| Nicotinamide | OL2a | −2.3 |
| Normetanephrine | OL2a | −4.4 |
| O-Acetylcarnitine | OL2a | −10.5 |
| Prolyl-glycine | OL2a | 2.8 |
| S-adenosylmethionine | OL2a | 81.4 |
| Tiglylcarnitine | OL2a | −2.4 |
| Tiglylcarnitine isomers or derivatives | OL2a | −2.9 |
| Trimethylamine oxide | OL2a | 7.4 |
| Xylose | OL2a | −2.2 |
| Xylose isomer or derviatives | OL2a | −2 |
| 3-methyladenine | OL2b | −15.3 |
| Glycylcholic acid | OL2b | −4.1 |
| Indole-3-acetamide | OL2b | −6.6 |
| Propanoylcarnitine | OL2b | 10.9 |
| (+)-.alpha.-Tocopherol | PDa | 7.6 |
| (R) − 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid | PDa | -4 |
| .alpha.-L-Glu-L-Tyr | PDa | 2 |
| 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine | PDa | 2.3 |
| 16-Phenoxy tetranor prostaglandin F2.alpha. | PDa | −5 |
| 4-Hydroxynonenal glutathione | PDa | −2.3 |
| 6-Ketoprostaglandin F1.alpha. | PDa | −2 |
| 6-Maleimidocaproic acid | PDa | −2.2 |
| 7.alpha.,24(S)-Dihydroxy-4-cholesten-3-one | PDa | 3.6 |
| Biliverdin | PDa | 3.3 |
| Biopterin | PDa | −2.5 |
| Butyl 9,12-octadecadienoate | PDa | 6.2 |
| CAY10444 | PDa | 12.3 |
| Cholest-4-en-26-oic acid, 7.alpha.-hydroxy-3-oxo | PDa | −25.7 |
| D-erythro-C18-Sphingosine | PDa | 2.3 |
| Desogestrel | PDa | 9.4 |
| D-Glucosyl-.beta.1–1’-D-erythro-sphingosine | PDa | 5.5 |
| Glu Cys Leu | PDa | 2.4 |
| Glu Thr Phe | PDa | −5.6 |
| Glu Tyr Asp Lys | PDa | −64.4 |
| Glu-Ala-Lys | PDa | −3.6 |
| Gly Ile Thr | PDa | −2.5 |
| α- ± −amyrin | PDa | 5.3 |
| Ile Asn Gly | PDa | −3.6 |
| Ile Val Ile | PDa | −18.3 |
| Ile-Leu | PDa | −2.1 |
| Lovastatin acid (Mevinolinic acid) | PDa | −8.4 |
| Lys Leu | PDa | −2 |
| Lyso-PAF C-18 | PDa | 2.6 |
| LysoPE(15:0/0:0) | PDa | −2.4 |
| N-Acetyl-L-arginine | PDa | −11.3 |
| N-Oleoyl-D-erythro-sphingosylphosphorylcholine | PDa | 2.1 |
| Pilocarpine | PDa | –* |
| Protoporphyrin IX | PDa | 2.1 |
| Taurocholic acid | PDa | −85.7 |
| Val Val | PDa | −2.1 |
| Xanthopterin | PDa | −4.4 |
| Ursocholic acid | OL1 | |
| Glu Trp | PDa |
Metabolites satisfying VIP ≥1.0 and p < 0.05 and |FC| ≥ 2.0 in pairwise comparison of the HCHF vs. HP diet fed mice. A total of 1,133 peaks were differentiated between the pairwise comparison, with 74 identified or annotated with confidence (OL1, OL2a, OL2b, and PDA) via matching with an in-house physical standards library (IPSL) and/or public database (NIST or METLIN database).
Ontology levels: OL1, highly confident identification based on matching with via retention time (RT, with RT error ≤ |0.5|), exact mass (MS, with mass error < 5 ppm), and tandem mass similarity (MS/MS, with similarity ≥30); OL2a, confident identification based on matching with IPSL via MS and RT; OL2b, annotation for the isomer or derivatives of the compound listed but not the compound itself, based on matching with IPSL via MS and MS/MS; PDa, annotation based on matching with public database via MS and experimental MS/MS (could be the listed compound, or the isomer or derivatives of the listed compound).
Fold change, the ratio of intensity between the high carbohydrate + high fat (HCHF-) vs. high protein with higher fiber (HP) diet fed mice, based on the mean, indicates the direction and magnitude of perturbation: positive fold change (FC) indicates an increase in HCHF diet compared to HP diet and negative FC indicates a decrease in HCHF diet compared to HP diet. The lack of FC value (gray area) indicates that the metabolite did not satisfy the above criteria. –* indicates the metabolites were missing in the HCHF-fed mice.