Clustering data with hclust algorithm for (Study ST000759)
(Analysis AN001194)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| KYNURENIC ACID (M-H)- | ME210938 | 1.78 | 0.76 | 0.49 | NA | 1.91 | 1.06 | 0.65 | 0.82 | 0.91 | 0.94 |
| CITRIC ACID (M-H)- | ME210918 | 0.12 | 0.02 | 0.03 | 0.01 | 2.16 | 2.09 | 0.12 | 0.18 | 2.11 | 2.34 |
| CORTICOSTERONE (M+HCOO)- | ME210920 | 0.21 | 0.52 | 0.71 | 0.42 | 2.00 | 1.83 | 1.04 | 0.70 | 1.50 | 0.93 |
| LEUCINE (M-H)- | ME210941 | 0.95 | 0.64 | 1.05 | 0.73 | 1.11 | 1.26 | 1.43 | 2.18 | 0.52 | 0.50 |
| MYRISTOLEIC ACID (M-H)- | ME210953 | 0.42 | 1.06 | 0.62 | 0.80 | 0.65 | 0.88 | 0.90 | 0.56 | 1.57 | 1.79 |
| INDOLE-3-ACETIC ACID (M-H)- | ME210936 | 0.83 | 0.48 | 0.76 | 0.46 | 1.10 | 1.18 | 1.01 | 1.35 | 1.21 | 1.06 |
| MANDELIC ACID (M-H)- | ME210949 | 1.04 | NA | 0.44 | NA | 0.90 | 0.93 | 0.40 | 0.61 | 1.48 | 1.44 |
| DEOXYCHOLIC ACID (2M-H)- | ME210922 | 0.89 | 0.52 | 0.26 | 0.15 | 0.25 | 1.09 | 0.41 | 1.55 | 1.28 | 1.76 |
| MALIC ACID (M-H)- | ME210947 | 0.32 | 0.08 | 0.23 | 0.22 | 2.04 | 2.05 | 0.58 | 0.51 | 1.60 | 1.32 |
| DOCOSAHEXAENOIC ACID (M-H)- | ME210925 | 0.68 | 1.23 | 0.97 | 0.87 | 0.71 | 0.85 | 0.70 | 0.64 | 1.33 | 1.68 |
| HEPTADECANOIC ACID (M-H)- | ME210933 | 0.62 | 0.96 | 0.93 | 0.96 | 0.53 | 0.81 | 1.46 | 0.91 | 1.00 | 1.48 |
| N-ACETYL-D-GLUCOSAMINE (M+CL)- | ME210954 | 0.57 | 2.06 | 1.99 | NA | 0.21 | 0.23 | 1.63 | 1.42 | 0.28 | 0.49 |
| CORTICOSTERONE (M+CL)- | ME210919 | 0.26 | 0.67 | 0.92 | 0.51 | 1.73 | 1.42 | 1.47 | 0.94 | 1.21 | 0.77 |
| INOSINE (M-H)- | ME210937 | 0.07 | NA | NA | NA | 0.41 | 0.68 | 1.19 | 1.83 | 0.54 | 0.55 |
| 4-PYRIDOXIC ACID (M-H)- | ME210901 | 0.39 | 0.26 | 0.25 | 0.16 | 1.05 | 0.65 | 0.96 | 1.12 | 2.55 | 1.56 |
| 2-DEOXY-D-GLUCOSE (M+CL)- | ME210893 | 1.01 | 1.17 | 1.32 | 1.04 | 0.38 | 0.16 | 2.41 | 1.55 | 0.20 | 0.58 |
| CIS-ACONITIC ACID (M-H)- | ME210916 | 0.30 | 0.04 | NA | NA | 2.55 | 2.76 | 0.21 | 0.32 | 0.83 | 0.70 |
| PHENYLALANINE (M-H)- | ME210963 | 0.98 | 0.62 | 0.83 | 0.65 | 0.88 | 1.39 | 1.27 | 1.38 | 0.97 | 0.92 |
| BEHENIC ACID (M-H)- | ME210911 | 0.54 | 0.82 | 0.85 | 0.52 | 0.51 | 0.55 | 1.98 | 1.25 | 0.68 | 0.98 |
| MYRISTIC ACID (M-H)- | ME210952 | 0.44 | 0.59 | 0.66 | 0.60 | 0.44 | 0.55 | 0.87 | 0.54 | 1.64 | 2.67 |
| GLYCOCHOLIC ACID (M-H)- | ME210932 | 0.88 | 0.36 | 0.65 | 0.57 | 0.47 | 0.43 | 0.53 | 0.24 | 1.88 | 2.90 |
| LIGNOCERIC ACID (M-H)- | ME210943 | 0.61 | 0.81 | 0.63 | 0.74 | 0.47 | 0.63 | 2.58 | 1.61 | 0.70 | 0.89 |
| ARACHIDIC ACID (M-H)- | ME210908 | 0.43 | 0.68 | 0.66 | 0.68 | 0.72 | 0.58 | 1.88 | 1.38 | 0.74 | 1.05 |
| METHYLMALONIC ACID (M-H)- | ME210950 | 0.46 | 0.38 | 0.28 | 0.20 | 0.45 | 0.63 | 1.11 | 1.62 | 1.84 | 1.83 |
| HIPPURIC ACID (M-H)- | ME210934 | 1.18 | 1.10 | 0.85 | 0.56 | 0.99 | 0.64 | 1.52 | 1.83 | 0.53 | 0.79 |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | ME210939 | 1.06 | 1.12 | 1.20 | 1.21 | 0.97 | 0.97 | 0.92 | 0.95 | 0.88 | 0.88 |
| DEHYDROASCORBIC ACID (M-H)- | ME210921 | 0.14 | 0.00 | NA | NA | 1.33 | 1.31 | 0.08 | 0.10 | 1.71 | 1.68 |
| ERUCIC ACID (M-H)- | ME210927 | 0.39 | 0.60 | 0.40 | 0.51 | 0.47 | 0.67 | 2.06 | 1.51 | 0.77 | 1.11 |
| GLYCERIC ACID (M-H)- | ME210931 | 0.74 | 1.62 | 0.88 | 1.69 | 0.66 | 0.54 | 1.41 | 1.24 | 0.60 | 0.64 |
| PALMITOLEIC ACID (M-H)- | ME210960 | 0.76 | 2.09 | 1.25 | 1.51 | 0.36 | 0.52 | 0.92 | 0.37 | 0.77 | 1.50 |
| DEOXYURIDINE (M+CL)- | ME210924 | 0.84 | 0.93 | 0.73 | 0.66 | 0.77 | 1.56 | 0.85 | 1.22 | 1.11 | 1.18 |
| ETHYLMALONIC ACID (M-H)- | ME210928 | 0.84 | 0.32 | 0.45 | 0.39 | 0.75 | 0.86 | 0.69 | 1.27 | 1.73 | 1.22 |
| 3-(2-HYDROXYPHENYL)PROPANOIC ACID (M-H)- | ME210896 | 1.00 | 0.52 | 0.95 | 0.56 | 2.01 | 1.17 | 0.86 | 0.91 | 0.79 | 0.89 |
| BENZOIC ACID (M-H)- | ME210912 | 0.99 | 1.29 | 1.04 | 1.03 | 1.18 | 1.05 | 0.65 | 0.74 | 1.05 | 1.07 |
| CHOLIC ACID (M-H)- | ME210914 | 1.08 | 1.42 | 0.65 | 0.55 | 0.46 | 0.61 | 0.51 | 0.82 | 2.21 | 1.17 |
| GLUCOSE (M+CL)- | ME210929 | 0.82 | 1.16 | 1.23 | 1.70 | 0.22 | 0.14 | 2.48 | 1.85 | 0.15 | 0.27 |
| 5-VALEROLACTONE (M+HCOO)- | ME210903 | 1.08 | 0.21 | NA | NA | 0.91 | 0.84 | 0.42 | 0.48 | 1.32 | 1.88 |
| PANTOTHENIC ACID (M-H)- | ME210962 | 0.56 | 0.52 | 0.38 | 0.30 | 0.88 | 1.22 | 0.70 | 0.96 | 1.43 | 2.28 |
| CHOLIC ACID (2M-H)- | ME210913 | 0.49 | 0.49 | 0.38 | 0.22 | 0.34 | 0.53 | 0.68 | 1.57 | 1.38 | 2.77 |
| GLUTARIC ACID (M-H)- | ME210930 | 1.22 | 1.31 | 0.91 | 0.84 | 0.75 | 0.87 | 0.76 | 0.55 | 2.15 | 0.50 |
| 4-NITROPHENOL (M-H)- | ME210900 | 1.05 | 0.96 | 1.05 | 1.10 | 0.99 | 1.05 | 0.81 | 0.91 | 1.05 | 1.05 |
| MEVALONIC ACID (M-H)- | ME210951 | 1.12 | 1.45 | 1.52 | 1.33 | NA | 0.82 | 0.80 | 0.68 | 0.88 | 0.67 |
| OLEOYL-GLYCEROL (M+HCOO)- | ME210957 | 0.92 | 2.55 | 2.54 | 1.17 | 0.67 | 0.76 | 0.41 | 0.32 | 0.38 | 0.59 |
| 5^-METHYLTHIOADENOSINE (M+CL)- | ME210902 | 0.50 | 0.46 | 0.48 | 0.46 | 0.83 | 0.90 | 0.70 | 0.63 | 2.36 | 1.77 |
| DEOXYCHOLIC ACID (M-H)- | ME210923 | 0.38 | 0.34 | 0.46 | 0.37 | 0.67 | 0.65 | 0.79 | 1.56 | 1.58 | 1.83 |
| 18:0 LYSO-PE (M-H)- | ME210892 | 0.63 | 0.66 | 0.53 | 0.41 | 0.73 | 0.94 | 1.32 | 1.12 | 1.04 | 1.99 |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | ME210940 | 1.00 | 1.08 | 1.11 | 1.16 | 1.08 | 0.90 | 0.91 | 0.86 | 1.03 | 0.97 |
| MALEIC ACID (M-H)- | ME210945 | 1.24 | 1.12 | 1.10 | 0.98 | 1.35 | 0.97 | 0.96 | 0.84 | 0.88 | 0.75 |
| PANTOTHENIC ACID (M+CL)- | ME210961 | 0.66 | 0.25 | NA | NA | 0.95 | 0.98 | 0.52 | 1.01 | 1.00 | 1.62 |
| 4-HYDROXYBENZOIC ACID (M-H)- | ME210899 | 0.72 | 0.90 | 0.91 | 0.78 | 1.18 | 1.20 | NA | 0.52 | 1.12 | 1.22 |
| ALLANTOIN (M-H)- | ME210907 | 1.56 | 1.37 | 1.90 | 1.85 | 0.47 | 0.57 | 0.58 | 0.22 | 0.68 | 0.79 |
| 4-COUMARIC ACID (M-H)- | ME210898 | 2.22 | 1.60 | 1.41 | 1.05 | 1.77 | 1.47 | 0.46 | 0.31 | 0.32 | 0.36 |
| LINOLEIC ACID (M-H)- | ME210944 | 0.74 | 1.52 | 1.24 | 1.12 | 0.60 | 0.87 | 1.05 | 0.59 | 0.97 | 1.28 |
| 16:0 LYSO PC (M+CL)- | ME210890 | 0.79 | 0.96 | 0.70 | 0.68 | 0.88 | 1.05 | 1.22 | 1.18 | 1.11 | 1.18 |
| CITRAMALIC ACID (M-H)- | ME210917 | 0.82 | 0.24 | 0.33 | 0.18 | 1.28 | 1.34 | 0.60 | 1.07 | 1.55 | 1.26 |
| MANDELIC ACID #2 (M-H)- | ME210948 | 1.19 | 0.19 | NA | NA | 0.65 | 0.82 | 1.15 | 0.62 | 1.25 | 1.29 |
| AZELAIC ACID (M-H)- | ME210910 | 1.20 | 0.94 | 0.93 | 0.89 | 1.11 | 1.10 | 0.53 | 0.46 | 1.34 | 1.39 |
| CIS-11-EICOSENOIC ACID (M-H)- | ME210915 | 0.46 | 0.85 | 0.73 | 0.76 | 0.45 | 0.85 | 1.75 | 1.27 | 1.04 | 1.38 |
| MALIC ACID (M-H)+[-H2O] | ME210946 | 1.09 | 0.57 | 0.92 | 0.38 | 1.44 | 1.40 | 0.82 | 0.80 | 1.36 | 0.83 |
| HYODEOXYCHOLIC ACID (M-H)- | ME210935 | 0.90 | 1.19 | 1.05 | 1.09 | 0.65 | 1.14 | 0.93 | 0.84 | 1.18 | 0.99 |
| ARACHIDONIC ACID (M-H)- | ME210909 | 0.48 | 0.89 | 0.65 | 0.62 | 0.67 | 0.77 | 1.61 | 0.94 | 1.38 | 1.44 |
| ADIPIC ACID (M-H)- | ME210906 | 1.05 | 1.06 | 1.06 | 1.24 | 0.26 | 0.37 | 0.34 | 0.43 | 2.39 | 1.28 |
| PALMITIC ACID (M-H)- | ME210959 | 0.53 | 0.97 | 1.05 | 1.02 | 0.53 | 0.68 | 1.27 | 0.60 | 1.25 | 1.68 |
| ADENOSINE (M+CL)- | ME210904 | 0.02 | 0.05 | 0.03 | 0.04 | 0.72 | 0.44 | 2.74 | 2.32 | 2.38 | 1.99 |
| 16:0 LYSO PC (M+HCOO)- | ME210891 | 0.73 | 0.92 | 0.77 | 0.69 | 0.87 | 0.97 | 1.39 | 1.17 | 1.05 | 1.19 |
| 2-HYDROXYBUTYRIC ACID (M-H)- | ME210895 | 0.85 | 1.12 | 1.06 | 0.83 | 0.76 | 1.25 | 0.82 | 0.87 | 0.78 | 1.57 |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | ME210894 | 0.92 | 0.56 | 0.84 | 0.66 | 1.30 | 2.47 | 0.50 | 0.67 | 1.01 | 1.18 |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | ME210897 | 0.29 | 0.41 | 0.51 | 0.38 | 1.28 | 0.81 | 1.03 | 0.98 | 1.91 | 1.63 |
| N-ACETYL-L-LEUCINE (M-H)- | ME210955 | 1.47 | 0.61 | 0.68 | 0.37 | 1.29 | 1.46 | 0.78 | 1.16 | 1.42 | 0.76 |
| NERVONIC ACID (M-H)- | ME210956 | 0.39 | 0.57 | 0.36 | 0.48 | 0.34 | 0.73 | 2.89 | 1.88 | 0.78 | 0.99 |
Factors:
| F1 | Age:106 week | Line:HRT | Sex:Female | Training:no |
| F2 | Age:106 week | Line:HRT | Sex:Female | Training:yes |
| F3 | Age:106 week | Line:LRT | Sex:Female | Training:no |
| F4 | Age:106 week | Line:LRT | Sex:Female | Training:yes |
| F5 | Age:126 week | Line:HCR | Sex:Male | Training:no |
| F6 | Age:126 week | Line:LCR | Sex:Male | Training:no |
| F7 | Age:14 week | Line:HCR | Sex:Male | Training:no |
| F8 | Age:14 week | Line:LCR | Sex:Male | Training:no |
| F9 | Age:4 week | Line:HCR | Sex:Male | Training:no |
| F10 | Age:4 week | Line:LCR | Sex:Male | Training:no |