Clustering data with hclust algorithm for (Study ST004401)
HILIC NEGATIVE ION MODE (Analysis AN007358)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Methyl beta-D-galactoside | ME1228042 | 17.79 | NA | NA | 19.46 | 30.48 | 26.67 | NA | 13.02 | NA | 50.51 | NA | 91.05 |
| Phenylacetaldehyde | ME1228075 | NA | NA | -57.38 | -1.66 | -10.36 | -1.75 | NA | NA | NA | NA | -27.52 | -34.91 |
| 3-Amino-4-hydroxybenzoic acid | ME1227895 | 19.61 | NA | NA | NA | 11.20 | NA | 12.52 | 16.13 | NA | NA | 2.74 | 10.10 |
| dCDP | ME1227956 | NA | NA | -0.01 | -3.13 | -9.25 | NA | NA | NA | -15.74 | NA | -16.51 | -10.03 |
| 2-Deoxy-glucose | ME1227878 | 2.22 | 3.60 | 9.76 | 12.49 | NA | 2.94 | NA | 3.80 | NA | NA | NA | 3.88 |
| Citric acid | ME1227948 | NA | NA | 1.90 | 1.02 | 2.87 | NA | NA | NA | NA | 3.01 | 2.02 | 17.97 |
| P-Aminobenzoic acid | ME1228074 | 4.45 | NA | NA | NA | NA | 0.69 | 6.72 | 0.52 | 1.18 | NA | NA | 11.68 |
| Mevalonic acid | ME1228046 | NA | NA | 9.42 | NA | NA | NA | 5.77 | 1.29 | 0.20 | 8.86 | 1.38 | NA |
| Glucose | ME1227994 | NA | NA | 9.31 | 4.45 | NA | NA | 12.97 | 0.85 | NA | 1.04 | 2.05 | 0.06 |
| Sorbose | ME1228107 | NA | NA | 9.31 | 4.45 | NA | NA | 12.97 | 0.85 | NA | 1.04 | 2.05 | 0.06 |
| Citraconic acid | ME1227946 | 2.41 | NA | NA | 0.53 | 1.59 | 4.29 | NA | 5.56 | 4.39 | 13.14 | NA | NA |
| 2-Pyrocatechuic acid | ME1227888 | 4.72 | 0.25 | 1.63 | 11.35 | NA | NA | 3.65 | 6.35 | NA | NA | NA | NA |
| 5-Hydroxyindoleacetic acid | ME1227918 | 4.30 | 0.73 | 2.21 | 5.60 | 4.89 | 2.85 | NA | 6.03 | NA | NA | 0.40 | NA |
| Guanidinosuccinic acid | ME1228007 | 5.01 | 3.88 | NA | NA | 3.01 | 4.82 | 7.53 | NA | 4.79 | NA | NA | NA |
| Butyric acid | ME1227941 | NA | 2.03 | 4.64 | 3.85 | 8.64 | 4.30 | NA | NA | 2.30 | NA | NA | NA |
| Citramalic acid | ME1227947 | 0.49 | NA | NA | 4.82 | 9.04 | 4.64 | 2.16 | NA | NA | 2.09 | NA | NA |
| beta-D-sedoheptulose | ME1227940 | 3.79 | NA | NA | 3.80 | NA | 1.36 | NA | NA | 2.63 | NA | 8.38 | 0.80 |
| 3-Sulfino-alanine | ME1227909 | NA | 0.82 | 6.63 | 1.76 | 1.48 | 4.09 | 1.28 | NA | 6.34 | 0.79 | NA | NA |
| 4-Hydroxyphenylacetic acid | ME1227913 | 2.29 | NA | NA | NA | 1.23 | 3.17 | 0.15 | 3.44 | 8.46 | NA | NA | NA |
| Pimelic acid | ME1228081 | 6.13 | 1.79 | 2.14 | 1.69 | 5.55 | 0.55 | NA | NA | 4.27 | 0.50 | NA | NA |
| 3-Methoxytyrosine | ME1227905 | -1.73 | NA | NA | -1.34 | -2.37 | -0.71 | -0.81 | NA | NA | -2.86 | NA | NA |
| Homovanillic acid | ME1228011 | 0.92 | NA | 0.05 | 3.99 | 0.14 | 7.54 | NA | 0.21 | NA | 1.96 | 0.81 | NA |
| Mannose 6-phosphate | ME1228037 | 0.53 | 0.26 | NA | 6.18 | NA | 3.94 | 0.95 | NA | NA | 0.40 | 1.20 | 1.25 |
| UDP-galactose | ME1228121 | NA | 2.32 | 1.94 | NA | NA | NA | 5.05 | 6.69 | 5.14 | 5.05 | NA | NA |
| UDP-glucose | ME1228122 | NA | 1.44 | 1.14 | NA | 1.13 | NA | 3.41 | 4.71 | 3.48 | 3.41 | NA | NA |
| 3E-Methylglutaconic acid | ME1227897 | 0.41 | 0.09 | 1.79 | NA | NA | NA | 3.17 | 3.10 | 2.40 | 3.92 | 0.73 | 2.78 |
| gamma-Aminobutyric acid | ME1227986 | NA | NA | 0.57 | 1.81 | 0.52 | NA | 3.59 | 4.38 | NA | 6.17 | 0.97 | NA |
| 3,4-Dihydroxybenzeneacetic acid | ME1227890 | 0.27 | 3.24 | NA | NA | NA | 0.31 | 7.09 | NA | 1.80 | 2.18 | 0.54 | NA |
| Ethyl 3-(carbamoylamino)propanoate | ME1227975 | NA | 0.59 | 0.74 | 0.22 | NA | 0.20 | 6.56 | 0.94 | 1.62 | 0.85 | NA | 1.90 |
| Methyl 4-aminobutanoate | ME1228041 | NA | 3.56 | NA | 3.16 | 2.02 | 2.52 | 3.25 | NA | NA | 0.60 | NA | 5.33 |
| D-Tagatose | ME1227969 | 3.58 | NA | 2.78 | 0.99 | 3.92 | 1.48 | 3.81 | NA | 0.10 | NA | NA | NA |
| Gluconolactone | ME1227992 | 5.99 | NA | 4.13 | 0.76 | NA | 2.44 | 2.15 | NA | NA | 1.26 | 0.75 | NA |
| Indoleacetaldehyde | ME1228017 | 0.08 | 0.52 | NA | 2.25 | 2.85 | 0.71 | NA | NA | NA | 6.16 | 0.54 | 0.77 |
| Monoethyl malonic acid | ME1228047 | 1.28 | 3.01 | NA | 0.08 | 3.80 | 2.78 | 2.44 | 3.07 | NA | NA | NA | NA |
| Thiamine diphosphate | ME1228113 | 0.46 | 3.01 | 1.02 | 4.77 | 2.14 | 1.19 | 0.90 | 0.05 | NA | NA | NA | NA |
| Deoxyuridine | ME1227961 | 3.93 | 1.18 | 2.08 | 3.26 | NA | 2.21 | 2.50 | 0.68 | 0.57 | NA | NA | NA |
| Lumazine | ME1228028 | 3.14 | 2.02 | 2.30 | 3.45 | 2.11 | 0.33 | 1.67 | NA | NA | NA | 0.86 | NA |
| Thymidine | ME1228115 | 3.48 | 1.71 | 0.37 | 2.51 | 3.70 | NA | NA | 0.15 | NA | NA | 0.28 | 2.42 |
| Allantoin | ME1227931 | 0.72 | 0.17 | 0.53 | 1.19 | 5.27 | 1.26 | 0.06 | 1.39 | 1.93 | NA | NA | 0.35 |
| Glyceric acid | ME1228001 | 0.21 | NA | 1.25 | 2.77 | 2.86 | 2.09 | 0.41 | NA | 1.05 | 1.04 | 0.90 | 1.95 |
| Glucose 1-phosphate | ME1227995 | 0.11 | 0.37 | NA | 3.57 | 4.20 | 1.18 | NA | NA | 0.14 | 0.58 | 0.58 | 1.93 |
| Glucose 6-phosphate | ME1227996 | NA | 0.23 | NA | 4.62 | 5.48 | 1.34 | NA | NA | NA | 0.38 | 0.38 | 2.23 |
| 3-Dehydroshikimate | ME1227896 | NA | 0.01 | 2.46 | NA | 0.20 | 2.53 | 1.43 | 3.08 | 0.59 | 0.19 | NA | 2.14 |
| Deoxycytidine | ME1227959 | NA | 1.78 | 0.33 | NA | 0.63 | NA | 1.25 | 2.03 | NA | 4.23 | 2.26 | 0.42 |
| 4-Hydroxybenzoic acid | ME1227912 | 2.34 | NA | 0.83 | NA | NA | 0.29 | 0.61 | NA | 0.59 | 4.41 | 1.32 | 2.49 |
| Vanylglycol | ME1228135 | 0.74 | 0.63 | 1.21 | 0.79 | 0.84 | NA | NA | 0.77 | 0.57 | 4.46 | 1.29 | 1.26 |
| Glucuronolactone | ME1227998 | NA | 1.21 | NA | 0.95 | 0.03 | NA | 2.66 | 1.81 | NA | 3.14 | 2.40 | 3.36 |
| Adenosine | ME1227924 | 0.19 | NA | NA | NA | NA | NA | 0.20 | 1.71 | 1.57 | 3.07 | 3.60 | 3.21 |
| Mandelic acid | ME1228034 | 0.19 | NA | NA | 0.51 | 1.61 | NA | 0.71 | 1.76 | 0.22 | 2.46 | 4.17 | 1.39 |
| 4-Hydroxybenzaldehyde | ME1227911 | 2.01 | NA | NA | 2.11 | 2.32 | 0.97 | 1.77 | 2.92 | 2.94 | NA | 2.58 | 1.62 |
| Guanosine | ME1228008 | NA | NA | 0.93 | 2.69 | 1.90 | NA | 0.57 | 0.50 | 2.97 | 0.27 | 1.85 | 2.28 |
| 2-Oxoglutaric acid | ME1227886 | 0.75 | 0.60 | 0.16 | 1.41 | 2.31 | 2.03 | 0.06 | 0.90 | NA | 0.06 | 2.79 | 0.98 |
| 5-Methylcytidine | ME1227919 | NA | 0.88 | 1.16 | NA | 3.04 | 1.64 | 1.81 | 0.94 | 1.37 | 1.25 | 2.63 | NA |
| 2-Methoxyestrone | ME1227883 | NA | NA | NA | 0.74 | 0.40 | NA | NA | 0.59 | 0.87 | 0.64 | NA | 2.76 |
| 2^,3^ cyclic CMP | ME1227874 | 1.53 | 0.81 | 1.19 | 0.52 | 1.93 | 2.09 | 0.39 | 0.09 | 0.17 | 0.44 | 0.51 | 2.32 |
| 3,4-Dihydroxyphenylglycol | ME1227892 | 1.47 | 0.71 | 0.67 | 0.26 | 1.84 | 0.82 | NA | 0.69 | 1.64 | 0.42 | 0.12 | 3.77 |
| Maleic acid | ME1228029 | 1.18 | 1.49 | 0.63 | 1.15 | 0.60 | 1.35 | 3.19 | 0.04 | 1.37 | 0.43 | 0.23 | 0.34 |
| Indolepyruvate | ME1228018 | 1.32 | 0.31 | 0.36 | 0.93 | 0.51 | 1.04 | 2.32 | NA | 0.16 | 1.41 | 2.25 | 2.05 |
| N-Methyl-glutamic acid | ME1228066 | 0.90 | 0.50 | 1.98 | 0.79 | 0.73 | 0.78 | 0.63 | 2.14 | NA | 0.76 | 0.37 | 1.43 |
| Oxoadipic acid | ME1228072 | 0.18 | 1.44 | 0.45 | 0.81 | NA | 0.35 | 1.22 | 1.79 | NA | 1.22 | 1.71 | 0.83 |
| 2^,4^-Dihydroxyacetophenone | ME1227876 | 0.58 | 0.29 | NA | 0.86 | 1.58 | 0.29 | 1.24 | 2.12 | 0.82 | 1.73 | 0.82 | 1.81 |
| 2-Hydroxyphenylacetic acid | ME1227881 | 0.59 | 0.29 | NA | 0.86 | 1.58 | 0.29 | 1.24 | 2.12 | 0.82 | 1.73 | 0.82 | 1.82 |
| N-Acetylalanine | ME1228051 | 0.65 | NA | 0.65 | 1.54 | 0.68 | 0.72 | 1.71 | 1.89 | 1.30 | 0.26 | 1.05 | 1.58 |
| 3-(2-Hydroxyphenyl)propanoic acid | ME1227889 | 0.75 | 0.28 | 0.30 | 0.68 | 0.24 | 0.79 | 1.76 | 1.15 | 0.75 | 1.97 | 2.23 | 1.12 |
| Sorbitol | ME1228106 | 1.31 | 0.82 | 0.55 | 0.64 | 0.23 | 0.20 | 2.16 | 1.04 | 1.29 | 1.73 | 1.03 | 1.00 |
| Galactitol | ME1227982 | 1.31 | 0.82 | 0.55 | 0.64 | 0.23 | 0.20 | 2.16 | 1.04 | 1.29 | 1.73 | 1.03 | 1.00 |
| Mannitol | ME1228035 | 1.31 | 0.82 | 0.55 | 0.64 | 0.23 | 0.20 | 2.16 | 1.04 | 1.29 | 1.73 | 1.03 | 1.00 |
| Gulose | ME1228009 | 0.74 | 0.79 | NA | 0.58 | 0.57 | 0.61 | 1.48 | 1.53 | 1.51 | 1.48 | 1.26 | 1.47 |
| 2^,3^ cyclic AMP | ME1227873 | 0.81 | 0.52 | 0.90 | 0.79 | 0.79 | 0.65 | 1.38 | 1.30 | 1.51 | 1.28 | 1.02 | 1.05 |
| 3^,5^ cyclic AMP | ME1227893 | 0.81 | 0.52 | 0.90 | 0.79 | 0.79 | 0.65 | 1.38 | 1.30 | 1.51 | 1.28 | 1.02 | 1.05 |
| N-Formylmethionine | ME1228063 | 0.90 | 1.51 | 0.59 | 0.83 | 1.56 | 0.63 | 0.77 | 0.05 | 1.41 | 0.32 | 2.55 | 0.87 |
| Valeric acid | ME1228133 | 1.06 | 1.07 | 1.34 | 1.97 | 1.60 | 0.84 | 0.07 | 0.26 | 1.30 | 0.45 | 0.54 | 1.51 |
| Lactic acid | ME1228025 | 1.01 | 0.76 | 0.87 | 1.40 | 1.43 | 1.26 | 0.84 | 0.83 | 0.76 | 0.84 | 1.07 | 0.92 |
| Uridine | ME1228130 | 1.05 | 0.74 | 0.87 | 1.39 | 1.28 | 1.24 | 0.61 | 0.59 | 0.64 | 0.64 | 1.53 | 1.43 |
| 3-Methyl-2-oxovaleric acid | ME1227906 | 1.16 | 0.79 | 0.99 | 1.31 | 1.22 | 1.19 | 0.75 | 0.68 | 0.70 | 0.79 | 1.29 | 1.14 |
| Methylacetoacetic acid | ME1228043 | 1.03 | 0.80 | 0.94 | 1.28 | 1.17 | 1.11 | 0.81 | 0.73 | 0.79 | 0.80 | 1.36 | 1.18 |
| Cysteine | ME1227953 | 0.75 | 0.56 | 1.14 | 1.30 | 1.17 | 1.07 | 1.23 | 1.06 | 0.93 | 0.70 | 0.81 | 1.28 |
| Pyroglutamic acid | ME1228090 | 0.78 | 0.56 | 0.80 | 1.33 | 1.40 | 1.21 | 0.85 | 0.85 | 1.37 | 0.81 | 0.99 | 1.06 |
| 2-Hydroxybutyric acid | ME1227880 | 1.20 | 0.95 | 1.10 | 1.57 | NA | 1.16 | 0.81 | 0.51 | 0.95 | 1.08 | 1.26 | 1.45 |
| dAMP | ME1227954 | 1.23 | 1.27 | 0.87 | 1.10 | 0.66 | 0.33 | 0.85 | 0.39 | 1.24 | 1.23 | 0.99 | 1.85 |
| N-Acetylmethionine | ME1228057 | 1.66 | 0.77 | 0.50 | 1.57 | 0.89 | 0.34 | 1.08 | 0.11 | 1.44 | 1.15 | 1.39 | 1.10 |
| Caffeic acid | ME1227942 | 0.42 | NA | 0.15 | 0.36 | 0.31 | 1.07 | 3.28 | 1.50 | 2.61 | 1.33 | 2.06 | NA |
| Hydroxypyruvic acid | ME1228013 | 0.18 | 0.99 | 0.52 | 0.77 | NA | 0.69 | 2.69 | 1.87 | 1.85 | 0.56 | 1.35 | 0.55 |
| 10-Hydroxydecanoic acid | ME1227872 | 0.54 | NA | 0.27 | NA | 0.44 | 1.11 | 0.63 | 2.02 | 2.10 | 2.52 | 2.15 | 0.41 |
| Galactose | ME1227983 | NA | 1.10 | NA | NA | NA | NA | 1.83 | 1.81 | 1.79 | 1.84 | 1.77 | 1.88 |
| Malic acid | ME1228030 | NA | NA | NA | 0.00 | NA | NA | 1.88 | 1.82 | 2.11 | 2.04 | 2.08 | 2.07 |
| Glycolic acid | ME1228003 | NA | -0.13 | -5.86 | NA | -12.14 | -2.72 | NA | NA | -5.20 | NA | NA | -0.07 |
| Homogentisic acid | ME1228010 | -9.47 | -7.29 | NA | -0.21 | -6.43 | NA | -3.53 | NA | NA | -1.81 | NA | NA |
| N-Acetylcysteine | ME1228053 | NA | -6.55 | -0.84 | -1.69 | -1.04 | NA | NA | NA | -4.63 | NA | -8.81 | NA |
Factors:
| F1 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_1 |
| F2 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_2 |
| F3 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_3 |
| F4 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_4 |
| F5 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_5 |
| F6 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:FXS_w1_6 |
| F7 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_1 |
| F8 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_2 |
| F9 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_3 |
| F10 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_4 |
| F11 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_5 |
| F12 | Sample source:Male Homo sapien iPSCs derived neurons | Genotype:iControl_w1_6 |
