Clustering data with hclust algorithm for Multi-omics analysis demonstrates unique mode of action of a potent new antimalarial compound, JPC-3210, against Plasmodium falciparum (Study ST001175)
HILIC NEGATIVE ION MODE (Analysis AN001951)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
N-Carbamoyl-L-aspartate | ME281043 | 0.12 | 7.40 | 0.15 | 0.10 | 0.16 | 0.11 | 0.13 | 0.11 | 0.09 | 2.14 | 0.10 |
(S)-Dihydroorotate | ME281088 | 0.19 | 7.12 | 0.26 | 0.22 | 0.23 | 0.17 | 0.21 | 0.21 | 0.22 | 1.74 | 0.23 |
(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid | ME280948 | 0.35 | 1.10 | 0.33 | 0.21 | 0.45 | 0.27 | 0.29 | 0.27 | 0.31 | 4.99 | 0.48 |
Sulfate | ME281131 | 0.36 | 0.41 | 0.34 | 0.33 | 0.36 | 0.40 | 0.35 | 0.36 | 0.33 | 5.17 | 0.34 |
mercuriphenyl acetate | ME281118 | 0.22 | 0.49 | 0.23 | 0.15 | 0.26 | 0.16 | 0.26 | 0.19 | 0.27 | 5.79 | 0.16 |
Pyrophosphate | ME281060 | 0.35 | 0.42 | 0.35 | 0.26 | 0.33 | 0.36 | 0.32 | 0.32 | 0.24 | 5.65 | 0.25 |
Thr-Ser | ME281089 | 2.38 | 0.49 | 0.59 | 0.18 | 0.45 | NA | 0.33 | NA | 2.90 | 1.00 | 0.47 |
L-Rhamnono-1,4-lactone | ME281049 | 0.68 | 3.13 | 1.30 | 2.13 | 0.79 | 0.44 | 0.43 | 0.58 | 0.90 | 0.52 | 0.70 |
Ala-Leu-Trp-Ser | ME280980 | 0.33 | 1.25 | 0.96 | NA | 1.23 | NA | 0.84 | NA | 0.15 | 1.13 | 1.12 |
FA methyl(14:0) dodecanedioic acid | ME280937 | 1.67 | 0.69 | 0.82 | NA | 1.01 | NA | 0.38 | 1.64 | 0.80 | 1.47 | 0.38 |
PE(30:4) | ME281000 | 2.32 | 1.11 | 0.95 | 0.87 | 0.86 | 1.11 | 1.19 | 0.73 | 1.23 | 0.70 | 1.12 |
FA hydroxy(9:0) hydroxy-nonanoic acid | ME281129 | 1.04 | 0.84 | 1.10 | 0.86 | 0.64 | 0.91 | 1.17 | 2.10 | 0.64 | 1.62 | 0.79 |
Margaroyl-EA | ME280969 | 0.73 | 1.08 | 0.68 | 1.06 | 0.96 | 0.68 | 1.04 | 0.76 | 1.65 | 0.95 | 1.35 |
Cer(d36:1) | ME281001 | 0.77 | 1.13 | 0.82 | 1.12 | 1.00 | 0.68 | 1.03 | 0.97 | 1.32 | 0.85 | 1.34 |
Tyr-Tyr | ME280960 | 0.88 | 1.02 | 0.88 | 1.19 | 1.04 | 0.63 | 0.99 | 0.80 | 1.15 | 0.85 | 1.48 |
Hexanoic acid | ME281063 | 0.84 | 1.55 | 1.46 | 0.81 | 1.29 | 0.74 | 0.79 | 0.90 | 0.46 | 1.99 | 0.56 |
FA (8:1) | ME281104 | 0.99 | 1.29 | 1.47 | 0.79 | 1.08 | 0.63 | 0.73 | 0.95 | 0.60 | 2.06 | 0.75 |
LysoPE(22:4) | ME280995 | 0.84 | 1.27 | 1.41 | 0.71 | 1.05 | 0.62 | 0.69 | 0.83 | 0.40 | 2.16 | 0.56 |
L-Cladinose | ME281112 | 1.01 | 0.97 | 1.15 | 0.78 | 0.76 | 0.78 | 1.08 | 1.35 | 0.65 | 1.81 | 0.88 |
3-Phospho-D-glycerate | ME281076 | 0.85 | 1.24 | 1.00 | 0.63 | 0.95 | 0.89 | 0.98 | 0.84 | 0.49 | 2.05 | 0.52 |
2-Oxoglutaramate | ME281061 | 0.70 | 0.98 | 1.12 | 0.89 | 1.03 | 0.91 | 0.94 | 0.92 | 0.74 | 2.29 | 0.97 |
5-Oxoproline | ME281093 | 0.94 | 1.33 | 1.12 | 0.83 | 0.99 | 0.80 | 1.08 | 0.93 | 0.82 | 2.13 | 0.89 |
5-Methylthio-D-ribose | ME281074 | 0.97 | 1.09 | 0.91 | 0.62 | 0.87 | 0.38 | 0.81 | 0.78 | 0.62 | 2.16 | 1.03 |
D-Sedoheptulose 7-phosphate | ME281054 | 0.86 | 0.86 | 1.03 | 0.86 | 0.77 | 0.61 | 0.85 | 0.81 | 0.70 | 2.18 | 0.89 |
CDP-ethanolamine | ME280928 | 0.74 | 0.90 | 1.02 | 0.94 | 0.96 | 0.67 | 0.83 | 0.83 | 0.79 | 1.84 | 0.96 |
D-4^-Phosphopantothenate | ME281128 | 0.78 | 0.95 | 0.92 | 0.80 | 1.00 | 0.69 | 0.87 | 0.83 | 0.77 | 1.91 | 0.90 |
Taurine | ME280923 | 0.77 | 1.00 | 0.85 | 0.91 | 0.92 | 0.76 | 0.82 | 0.87 | 0.78 | 1.99 | 1.04 |
IMP | ME281065 | 0.74 | 0.98 | 0.93 | 0.84 | 0.91 | 0.69 | 0.77 | 0.82 | 0.77 | 2.12 | 0.82 |
sn-glycero-3-Phosphoethanolamine | ME281055 | 0.79 | 1.05 | 0.84 | 0.90 | 0.97 | 0.66 | 0.80 | 0.76 | 0.83 | 2.06 | 0.91 |
Monoglyceride citrate | ME281124 | 0.78 | 1.06 | 0.87 | 0.63 | 0.82 | 0.62 | 0.96 | 0.70 | 0.81 | 2.21 | 0.90 |
Tiotropium | ME280967 | 0.75 | 1.17 | 0.87 | 0.67 | 0.85 | 0.86 | 0.96 | 0.77 | 0.88 | 2.07 | 0.91 |
Galactinoldihydrate | ME280935 | 0.63 | 1.35 | 0.97 | 0.85 | 1.01 | 0.60 | 0.76 | 0.69 | 0.74 | 2.01 | 0.94 |
Ala-Asp | ME281085 | 0.77 | 1.18 | 0.88 | 0.78 | 0.94 | 0.67 | 0.85 | 0.77 | 0.66 | 2.09 | 0.77 |
N-Acetyl-D-glucosamine 6-phosphate | ME281110 | 0.63 | 1.17 | 0.85 | 0.74 | 0.96 | 0.71 | 0.76 | 0.69 | 0.79 | 2.15 | 0.85 |
Thymine | ME281087 | 0.83 | 0.91 | 1.35 | 0.52 | 1.19 | 0.71 | 0.81 | 0.63 | 0.68 | 1.66 | 0.95 |
Caffeic acid 4-O-glucuronide | ME280945 | 1.18 | 1.49 | 1.16 | 0.80 | 1.05 | 0.62 | 0.73 | 0.73 | 0.44 | 1.68 | 0.84 |
2-Oxoglutarate | ME281092 | 0.99 | 1.42 | 1.16 | 0.88 | 1.12 | 0.80 | 1.06 | 0.91 | 0.68 | 1.79 | 0.87 |
(S)-Malate | ME281078 | 1.02 | 1.36 | 1.15 | 0.82 | 1.20 | 0.87 | 1.11 | 0.94 | 0.89 | 1.65 | 0.94 |
4-Hydroxyphenylacetylglycine | ME280917 | 0.90 | 1.33 | 1.10 | 0.77 | 1.03 | 0.98 | 0.98 | 0.87 | 0.60 | 1.42 | 0.73 |
Phosphoenolpyruvate | ME281071 | 0.82 | 1.35 | 0.98 | 0.78 | 1.04 | 0.91 | 0.92 | 0.89 | 0.67 | 1.57 | 0.70 |
PS(18:0) | ME280989 | 0.97 | 1.38 | 1.32 | 0.74 | 1.06 | 0.77 | 0.84 | 0.84 | 0.60 | 1.71 | 0.65 |
(S)-3-Methyl-2-oxopentanoic acid | ME280939 | 0.96 | 1.18 | 1.22 | 0.84 | 1.18 | 0.80 | 0.83 | 0.86 | 0.62 | 1.88 | 0.75 |
LysoPE(18:2) | ME280982 | 0.81 | 1.19 | 1.15 | 0.77 | 1.07 | 0.74 | 0.82 | 1.02 | 0.71 | 1.74 | 0.67 |
LysoPE(18:0) | ME280983 | 0.92 | 1.21 | 1.17 | 0.82 | 1.09 | 0.77 | 0.83 | 1.04 | 0.71 | 1.60 | 0.80 |
Sambutoxin | ME280996 | 0.89 | 1.19 | 1.17 | 0.81 | 1.08 | 0.70 | 0.79 | 0.92 | 0.72 | 1.66 | 0.75 |
N-Succinyl-L-glutamate | ME281122 | 0.75 | 1.00 | 1.06 | 0.79 | 1.00 | 0.94 | 0.90 | 0.99 | 0.73 | 1.66 | 0.83 |
FA methyl(6:0) | ME281090 | 0.87 | 1.15 | 1.16 | 0.95 | 1.06 | 0.82 | 0.92 | 0.99 | 0.78 | 1.63 | 0.91 |
FA oxo(7:0) | ME281086 | 0.92 | 1.07 | 1.14 | 0.94 | 1.07 | 0.80 | 1.00 | 0.97 | 0.92 | 1.82 | 0.89 |
sodium dodecyl sulfate | ME280936 | 0.98 | 0.91 | 1.51 | 0.88 | 1.01 | 1.44 | 0.78 | 1.07 | 0.78 | 1.09 | 1.06 |
FA hydroxy(7:0) | ME281091 | 1.24 | 1.04 | 1.61 | 1.05 | 0.89 | 0.79 | 1.15 | 1.22 | 0.74 | 1.29 | 0.80 |
Phytuberin | ME280953 | 1.15 | 0.85 | 1.62 | 0.98 | 0.88 | 0.95 | 0.96 | 1.18 | 0.90 | 1.41 | 0.89 |
D-Fructose 1,6-bisphosphate | ME281052 | 1.13 | 1.51 | 1.30 | 0.82 | 1.15 | 1.10 | 1.14 | 1.05 | 0.56 | 1.30 | 0.67 |
Clavulanic acid | ME281119 | 0.67 | 1.27 | 1.07 | 1.20 | 1.09 | 0.54 | 0.97 | 0.95 | 0.86 | 1.01 | 1.17 |
N-Acetyl-D-mannosaminolactone | ME281102 | 0.80 | 1.55 | 1.08 | 0.80 | 1.21 | 0.73 | 0.96 | 0.79 | 0.78 | 1.12 | 0.84 |
[PR] Abietic acid | ME281012 | 1.01 | 1.16 | 0.96 | 0.85 | 0.86 | 1.17 | 1.01 | 0.91 | 0.80 | 1.16 | 1.39 |
2-Decaprenyl-3-methyl-6-methoxy-1-4-benzoquinone | ME281046 | 0.88 | 0.85 | 0.79 | 0.91 | 0.93 | 0.84 | 0.96 | 0.87 | 1.13 | 1.41 | 1.20 |
N-Nitrosoproline | ME281062 | 0.91 | 0.79 | 0.93 | 0.87 | 0.92 | 1.00 | 1.11 | 1.08 | 1.14 | 1.16 | 1.10 |
3-Methyldioxyindole | ME281058 | 1.01 | 1.13 | 1.01 | 0.90 | 1.22 | 0.67 | 0.93 | 0.91 | 0.91 | 1.02 | 1.02 |
Ile-Lys-Gln-Tyr | ME280991 | 1.11 | 1.07 | 1.06 | 1.04 | 1.12 | 1.04 | 0.79 | 0.97 | 1.03 | 1.06 | 1.05 |
PI(36:3) | ME281030 | 1.00 | 0.89 | 1.05 | 1.18 | 1.03 | 0.89 | 0.96 | 1.03 | 0.98 | 0.93 | 1.04 |
PI(36:4) | ME281029 | 0.98 | 0.95 | 1.14 | 1.17 | 1.07 | 0.91 | 0.93 | 1.06 | 1.02 | 0.82 | 0.99 |
PE(36:1) | ME281016 | 0.96 | 0.88 | 0.95 | 1.01 | 1.03 | 0.99 | 0.94 | 1.08 | 1.03 | 1.07 | 1.01 |
alpha-Irone | ME280940 | 1.00 | 1.01 | 0.97 | 1.07 | 1.00 | 0.92 | 1.01 | 1.08 | 1.05 | 1.05 | 1.12 |
PE(38:4) | ME281024 | 1.01 | 0.93 | 0.99 | 1.02 | 1.01 | 0.99 | 1.01 | 1.02 | 1.07 | 1.10 | 1.05 |
PE(38:5) | ME281023 | 0.97 | 0.99 | 0.99 | 1.00 | 1.02 | 0.95 | 0.99 | 0.99 | 1.06 | 1.11 | 1.09 |
FA oxo(8:0) oxo-octanoic acid | ME281105 | 0.99 | 0.99 | 1.12 | 0.96 | 1.04 | 0.98 | 1.04 | 0.92 | 1.03 | 1.04 | 1.11 |
Arecoline | ME281101 | 1.04 | 1.08 | 1.07 | 0.98 | 1.05 | 0.97 | 1.03 | 1.00 | 0.97 | 1.09 | 1.01 |
Tetradecanoic acid | ME281009 | 1.02 | 1.02 | 1.07 | 1.01 | 1.05 | 0.99 | 1.04 | 1.04 | 1.01 | 1.01 | 1.02 |
7E,9E,11-Dodecatrienyl acetate | ME280941 | 1.08 | 1.03 | 1.08 | 1.00 | 1.05 | 0.99 | 1.06 | 1.03 | 1.03 | 0.95 | 0.87 |
PE(36:2) | ME281015 | 1.02 | 0.98 | 1.07 | 1.00 | 1.01 | 1.02 | 0.99 | 1.00 | 1.04 | 0.89 | 1.02 |
D-glycero-L-galacto-Octulose | ME281113 | 0.90 | 1.08 | 1.00 | 1.04 | 1.09 | 0.86 | 0.90 | 0.96 | 0.95 | 1.02 | 1.08 |
PE(34:2) | ME281007 | 0.99 | 1.10 | 0.97 | 0.92 | 1.10 | 0.93 | 0.98 | 1.02 | 1.03 | 0.84 | 1.12 |
Met-Cys-Cys | ME280929 | 0.72 | 1.15 | 0.87 | 1.07 | 1.11 | 0.64 | 0.72 | 0.79 | 0.90 | 1.40 | 1.21 |
4-Amino-4-deoxychorismate | ME280918 | 0.87 | 1.17 | 1.07 | 0.96 | 1.11 | 0.68 | 0.93 | 0.85 | 0.79 | 1.29 | 0.94 |
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol | ME280944 | 0.92 | 1.30 | 1.02 | 1.01 | 1.06 | 0.63 | 0.94 | 0.82 | 0.79 | 1.20 | 1.03 |
5-Acetyl-2,4-dimethyloxazole | ME281098 | 0.83 | 1.20 | 1.00 | 1.08 | 1.11 | 0.66 | 0.86 | 0.81 | 0.80 | 1.26 | 1.05 |
AMCC | ME281084 | 0.85 | 1.34 | 1.21 | 0.97 | 1.07 | 0.66 | 0.87 | 0.85 | 0.74 | 1.28 | 0.87 |
Hydroxymethylphosphonate | ME281130 | 0.76 | 1.19 | 1.11 | 0.94 | 1.16 | 0.64 | 0.84 | 0.81 | 0.70 | 1.42 | 0.97 |
alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene | ME280984 | 0.76 | 1.05 | 0.90 | 0.98 | 1.17 | 0.88 | 0.86 | 0.94 | 1.08 | 1.19 | 0.94 |
D-Glucose 6-phosphate | ME281116 | 0.84 | 1.08 | 1.04 | 0.90 | 0.95 | 0.75 | 0.88 | 0.90 | 0.77 | 1.64 | 0.89 |
2,7-Anhydro-alpha-N-acetylneuraminic acid | ME280926 | 0.79 | 1.10 | 0.98 | 0.91 | 1.00 | 0.77 | 0.86 | 0.87 | 0.83 | 1.54 | 0.99 |
1-thio-β-D-glucose | ME281075 | 0.81 | 1.10 | 0.95 | 0.86 | 0.99 | 0.75 | 0.85 | 0.83 | 0.83 | 1.64 | 0.98 |
N-Acetyl-D-fucosamine | ME281106 | 0.73 | 1.09 | 0.96 | 0.89 | 1.02 | 0.72 | 0.88 | 0.80 | 0.88 | 1.62 | 0.97 |
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | ME280979 | 0.88 | 1.01 | 1.00 | 0.91 | 0.99 | 0.92 | 0.84 | 0.93 | 0.75 | 1.52 | 0.97 |
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) | ME280990 | 0.84 | 1.04 | 0.98 | 0.89 | 0.99 | 0.83 | 0.87 | 0.95 | 0.81 | 1.52 | 0.98 |
PG(40:5) | ME281033 | 0.90 | 1.02 | 0.91 | 0.93 | 1.01 | 0.78 | 0.85 | 0.98 | 0.92 | 1.42 | 1.01 |
PG(34:1) | ME281013 | 0.84 | 1.06 | 1.01 | 0.88 | 1.01 | 0.72 | 0.87 | 0.89 | 0.84 | 1.48 | 1.06 |
PG(36:1) | ME281022 | 0.82 | 1.01 | 1.02 | 0.90 | 1.01 | 0.71 | 0.86 | 0.90 | 0.88 | 1.50 | 1.04 |
PG(36:2) | ME281020 | 0.81 | 1.03 | 0.99 | 0.90 | 1.01 | 0.73 | 0.86 | 0.94 | 0.88 | 1.46 | 1.06 |
PA(36:4) | ME281004 | 0.85 | 1.01 | 1.00 | 1.11 | 1.17 | 0.88 | 0.92 | 1.00 | 1.06 | 1.42 | 1.17 |
PI(40:5) | ME281035 | 0.87 | 0.87 | 0.93 | 1.11 | 1.03 | 0.87 | 0.89 | 1.02 | 0.94 | 1.23 | 1.07 |
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) | ME280988 | 0.89 | 1.00 | 1.07 | 0.99 | 1.04 | 0.91 | 0.90 | 1.01 | 0.91 | 1.45 | 1.03 |
PA(36:3) | ME281005 | 0.78 | 0.97 | 0.98 | 0.97 | 1.11 | 0.75 | 0.74 | 0.89 | 0.98 | 1.40 | 1.04 |
PA(O-38:5) | ME281014 | 0.77 | 0.93 | 0.97 | 1.04 | 1.02 | 0.76 | 0.83 | 0.95 | 0.92 | 1.40 | 1.10 |
PA(36:2) | ME281006 | 0.75 | 0.91 | 1.00 | 1.02 | 1.06 | 0.70 | 0.82 | 0.88 | 0.95 | 1.43 | 1.12 |
PA(34:1) | ME281003 | 0.81 | 0.92 | 0.97 | 1.00 | 1.07 | 0.70 | 0.83 | 0.91 | 0.92 | 1.44 | 1.05 |
PA(34:2) | ME281002 | 0.79 | 0.98 | 0.99 | 1.03 | 1.04 | 0.72 | 0.85 | 0.87 | 0.91 | 1.42 | 1.06 |
PS(36:3) | ME281018 | 0.85 | 0.97 | 0.94 | 0.99 | 1.08 | 0.78 | 0.92 | 0.85 | 0.92 | 1.36 | 1.01 |
PS(36:1) | ME281021 | 0.86 | 0.91 | 1.05 | 0.95 | 1.05 | 0.78 | 0.87 | 0.92 | 0.94 | 1.36 | 1.02 |
PS(36:2) | ME281019 | 0.85 | 0.98 | 1.07 | 0.97 | 1.04 | 0.80 | 0.88 | 0.86 | 0.88 | 1.38 | 0.98 |
PI(36:2) | ME281031 | 0.88 | 0.87 | 1.00 | 1.05 | 1.06 | 0.85 | 0.88 | 0.92 | 0.87 | 1.33 | 1.01 |
PS(38:6) | ME281025 | 0.90 | 0.94 | 1.02 | 0.94 | 1.06 | 0.79 | 0.97 | 0.90 | 0.90 | 1.23 | 1.12 |
PS(36:4) | ME281017 | 0.91 | 1.02 | 1.01 | 1.01 | 1.03 | 0.79 | 0.94 | 0.92 | 0.91 | 1.21 | 1.04 |
PS(38:5) | ME281026 | 0.89 | 0.96 | 1.00 | 1.06 | 1.01 | 0.85 | 0.92 | 0.91 | 0.93 | 1.25 | 1.02 |
dihydrogeranylgeranyl-bacteriopheophytin | ME281044 | 0.81 | 0.96 | 1.07 | 1.02 | 1.05 | 0.82 | 0.91 | 0.90 | 0.98 | 1.24 | 1.02 |
tetrahydrogeranylgeranyl-bacteriopheophytin | ME281045 | 0.82 | 0.92 | 1.01 | 1.01 | 1.05 | 0.84 | 0.90 | 0.95 | 0.92 | 1.28 | 1.06 |
PS(40:4) | ME281034 | 0.85 | 0.91 | 1.01 | 0.98 | 1.05 | 0.82 | 0.87 | 0.93 | 0.95 | 1.30 | 1.10 |
PS(38:4) | ME281028 | 0.86 | 0.95 | 1.00 | 0.99 | 1.02 | 0.83 | 0.90 | 0.91 | 0.93 | 1.31 | 1.07 |
PS(40:5) | ME281032 | 0.84 | 0.94 | 1.01 | 0.99 | 1.03 | 0.81 | 0.91 | 0.92 | 0.95 | 1.30 | 1.06 |
Orotidine | ME280919 | 0.86 | 1.09 | 1.01 | 0.97 | 1.07 | 0.81 | 0.89 | 0.93 | 0.86 | 1.23 | 1.05 |
P-DPD | ME281067 | 0.86 | 1.12 | 1.05 | 1.03 | 1.03 | 0.77 | 0.89 | 0.97 | 0.86 | 1.21 | 1.01 |
2-Hydroxyethanesulfonate | ME280998 | 0.84 | 1.11 | 1.05 | 1.04 | 1.05 | 0.81 | 0.90 | 0.91 | 0.90 | 1.14 | 1.09 |
N-Acetyl-D-glucosaminate | ME281107 | 0.83 | 1.08 | 0.97 | 1.03 | 1.04 | 0.78 | 0.96 | 0.92 | 0.90 | 1.21 | 1.08 |
PG(38:5) | ME281027 | 0.82 | 1.07 | 1.00 | 0.95 | 0.98 | 0.81 | 0.86 | 1.00 | 0.95 | 1.29 | 1.10 |
[SP] Sphinganine-1-phosphate | ME280966 | 0.77 | 1.04 | 0.95 | 1.02 | 1.03 | 0.84 | 0.90 | 0.96 | 0.87 | 1.34 | 1.03 |
3-beta-D-Galactosyl-sn-glycerol | ME281056 | 0.80 | 1.14 | 0.98 | 0.97 | 1.03 | 0.85 | 0.84 | 0.92 | 0.87 | 1.34 | 1.02 |
Glycerophosphoglycerol | ME281080 | 0.83 | 1.12 | 0.99 | 0.97 | 0.99 | 0.81 | 0.87 | 0.91 | 0.83 | 1.41 | 1.01 |
Arg-Lys-Pro-His | ME280981 | 1.07 | 1.03 | 1.19 | 1.03 | 0.98 | 1.01 | 1.09 | 1.05 | 0.80 | 1.03 | 0.92 |
Pyruvate | ME281038 | 1.07 | 1.06 | 1.23 | 1.03 | 1.04 | 0.96 | 1.00 | 1.08 | 0.83 | 1.07 | 1.06 |
2-C-Methyl-D-erythritol 4-phosphate | ME281042 | 1.05 | 1.22 | 1.20 | 0.79 | 1.00 | 0.92 | 1.09 | 1.03 | 0.78 | 1.16 | 0.67 |
Benzyl sulfate | ME281097 | 1.08 | 1.16 | 1.15 | 0.92 | 0.97 | 0.97 | 1.04 | 1.06 | 0.79 | 1.05 | 0.81 |
Docosahexaenoicacid | ME280977 | 1.02 | 1.13 | 1.03 | 0.89 | 1.03 | 0.77 | 1.18 | 1.11 | 0.90 | 1.30 | 0.65 |
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine | ME280987 | 0.92 | 1.16 | 1.13 | 0.73 | 1.06 | 0.90 | 0.88 | 0.89 | 0.81 | 1.38 | 0.97 |
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan | ME280959 | 0.87 | 1.25 | 1.11 | 0.79 | 0.99 | 0.65 | 1.03 | 0.99 | 0.77 | 1.37 | 0.91 |
3a-7b-12a-Trihydroxyoxocholanyl-Glycine | ME280993 | 0.93 | 1.30 | 1.13 | 0.83 | 0.92 | 0.73 | 1.06 | 1.05 | 0.75 | 1.38 | 0.83 |
FA (20:4) | ME280970 | 1.13 | 1.19 | 1.02 | 0.87 | 1.03 | 0.84 | 1.03 | 1.07 | 0.88 | 1.19 | 0.81 |
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid | ME280978 | 1.11 | 1.17 | 1.09 | 0.86 | 1.00 | 0.83 | 1.09 | 0.99 | 0.92 | 1.20 | 0.84 |
Bile salt | ME280986 | 0.95 | 1.13 | 1.11 | 0.82 | 0.98 | 0.70 | 1.09 | 0.92 | 0.77 | 1.32 | 0.96 |
Chenodeoxyglycocholate | ME280992 | 1.00 | 1.18 | 1.10 | 0.81 | 0.97 | 0.82 | 1.12 | 0.99 | 0.80 | 1.24 | 0.88 |
Icosatrienoic acid | ME280971 | 1.00 | 1.13 | 1.03 | 0.89 | 0.96 | 0.81 | 1.10 | 0.98 | 0.84 | 1.23 | 0.90 |
2-Methyl-4-propyl-1,3-oxathiane | ME281114 | 0.95 | 1.02 | 1.08 | 0.85 | 1.03 | 0.95 | 1.03 | 1.00 | 0.82 | 1.29 | 0.81 |
Deamino-NAD+ | ME280974 | 0.85 | 1.25 | 1.12 | 0.85 | 0.99 | 0.89 | 0.94 | 0.97 | 0.88 | 1.22 | 0.91 |
Kinobscurinone | ME280958 | 0.85 | 1.10 | 1.13 | 0.92 | 1.06 | 0.84 | 1.04 | 0.94 | 0.85 | 1.16 | 0.92 |
2-Oxobutanoate | ME281037 | 1.24 | 1.27 | 1.21 | 1.05 | 1.08 | 1.04 | 1.23 | 1.21 | 1.05 | 1.11 | 0.90 |
2-Hydroxy-2,4-pentadienoate | ME281057 | 1.23 | 1.25 | 1.20 | 1.02 | 1.10 | 0.98 | 1.22 | 1.21 | 1.01 | 1.20 | 0.91 |
(S)-2-Acetolactate | ME281064 | 1.18 | 1.30 | 1.16 | 1.01 | 1.07 | 0.98 | 1.22 | 1.15 | 1.02 | 1.19 | 0.89 |
L-Histidine | ME280946 | 1.08 | 1.42 | 1.32 | 0.91 | 1.18 | 0.86 | 1.08 | 0.98 | 0.92 | 1.36 | 1.01 |
FA hydroxy(18:0) | ME280965 | 1.02 | 1.24 | 1.18 | 1.02 | 1.12 | 0.94 | 0.98 | 1.05 | 0.91 | 1.27 | 1.03 |
cis-Aconitate | ME281081 | 1.11 | 1.26 | 1.34 | 1.02 | 1.09 | 0.93 | 1.08 | 1.11 | 0.95 | 1.31 | 1.00 |
(S)-Lactate | ME281073 | 1.07 | 1.31 | 1.31 | 1.01 | 1.16 | 0.86 | 1.04 | 1.05 | 0.89 | 1.36 | 1.10 |
FA (17:0) | ME280957 | 1.02 | 1.30 | 1.12 | 1.16 | 0.96 | 0.97 | 1.07 | 1.13 | 0.89 | 1.48 | 0.94 |
Octadecanoic acid | ME281070 | 1.03 | 1.25 | 1.14 | 1.11 | 1.07 | 0.99 | 1.12 | 1.10 | 0.89 | 1.42 | 0.91 |
FA(16:0) | ME280952 | 1.07 | 1.24 | 1.11 | 1.12 | 1.03 | 1.06 | 1.10 | 1.14 | 0.84 | 1.34 | 0.81 |
FA methyl(14:0) | ME280947 | 1.05 | 1.20 | 1.12 | 1.00 | 0.95 | 1.01 | 1.04 | 1.09 | 0.81 | 1.34 | 0.81 |
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid | ME280961 | 1.15 | 1.30 | 1.18 | 0.88 | 0.99 | 0.88 | 1.18 | 1.03 | 0.83 | 1.36 | 0.76 |
FA methyl(16:1) | ME280956 | 1.07 | 1.43 | 1.20 | 1.03 | 1.03 | 0.89 | 1.20 | 1.13 | 0.84 | 1.51 | 0.80 |
FA(16:1) | ME280949 | 1.10 | 1.37 | 1.24 | 0.97 | 1.00 | 1.03 | 1.17 | 1.20 | 0.89 | 1.40 | 0.81 |
FA (20:0) | ME280973 | 1.10 | 1.39 | 1.25 | 0.99 | 1.05 | 1.00 | 1.16 | 1.09 | 0.85 | 1.43 | 0.90 |
[FA (18:1)] 9Z-octadecenoic acid | ME280922 | 1.14 | 1.35 | 1.21 | 0.99 | 1.07 | 0.89 | 1.19 | 1.12 | 0.91 | 1.41 | 0.92 |
HEPES | ME281115 | 1.16 | 1.35 | 1.29 | 0.90 | 1.08 | 0.93 | 1.20 | 1.11 | 0.90 | 1.43 | 0.87 |
Linoleate | ME280921 | 1.18 | 1.34 | 1.26 | 0.97 | 1.08 | 0.96 | 1.18 | 1.13 | 0.89 | 1.36 | 0.84 |
D-Arabinonate | ME281050 | 0.91 | 1.24 | 1.15 | 1.07 | 1.16 | 0.92 | 1.00 | 1.01 | 1.03 | 1.41 | 1.10 |
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid | ME281041 | 0.89 | 1.30 | 1.17 | 1.06 | 1.19 | 0.92 | 0.98 | 1.03 | 0.96 | 1.44 | 1.14 |
Quinate | ME280954 | 0.95 | 1.27 | 1.16 | 1.11 | 1.17 | 0.91 | 1.00 | 1.02 | 0.96 | 1.38 | 1.17 |
D-Glucono-1,5-lactone | ME281051 | 0.85 | 1.23 | 1.10 | 1.02 | 1.13 | 0.86 | 0.96 | 0.95 | 0.94 | 1.65 | 1.07 |
D-Gluconic acid | ME280942 | 0.90 | 1.35 | 1.15 | 1.04 | 1.18 | 0.89 | 0.97 | 0.98 | 0.97 | 1.54 | 1.11 |
D-Ribose | ME281040 | 0.85 | 1.31 | 1.10 | 1.05 | 1.13 | 0.93 | 0.96 | 1.00 | 0.99 | 1.58 | 1.14 |
FA hydroxy(8:0) hydroxy-octanoic acid | ME281111 | 1.16 | 1.04 | 1.29 | 0.85 | 1.12 | 0.79 | 0.98 | 1.02 | 1.04 | 1.23 | 0.99 |
Ursodiol | ME280985 | 0.98 | 1.13 | 1.23 | 0.91 | 1.23 | 0.77 | 1.12 | 0.98 | 1.02 | 1.34 | 0.99 |
2-Dodecylbenzenesulfonic acid | ME280962 | 0.99 | 1.04 | 1.10 | 1.01 | 1.19 | 0.94 | 1.06 | 1.25 | 0.93 | 1.37 | 1.16 |
N-Undecylbenzenesulfonic acid | ME280955 | 0.98 | 1.12 | 1.14 | 1.01 | 1.21 | 0.88 | 1.02 | 1.23 | 0.90 | 1.39 | 1.08 |
3-Methylbutanoic acid | ME281048 | 1.07 | 1.12 | 1.13 | 1.05 | 1.20 | 1.02 | 1.15 | 1.08 | 1.10 | 1.17 | 1.11 |
3-Amino-2-oxazolidone | ME281010 | 0.97 | 1.13 | 1.08 | 1.07 | 1.20 | 0.93 | 1.12 | 1.11 | 1.07 | 1.31 | 1.11 |
Mannitol | ME281120 | 1.02 | 1.22 | 1.15 | 1.13 | 1.18 | 0.99 | 1.04 | 1.08 | 1.05 | 1.24 | 1.15 |
FA oxo(18:0) | ME280963 | 1.03 | 1.12 | 1.18 | 0.98 | 1.09 | 0.92 | 1.12 | 1.03 | 0.88 | 1.44 | 0.90 |
FA methyl(18:0) | ME280968 | 1.09 | 1.14 | 1.14 | 1.07 | 1.04 | 0.93 | 1.10 | 1.11 | 0.97 | 1.40 | 1.00 |
Ile-Ala-Ser | ME280934 | 1.04 | 1.17 | 1.09 | 0.98 | 1.07 | 1.06 | 1.08 | 1.03 | 0.98 | 1.44 | 0.96 |
1,8-Diazacyclotetradecane-2,9-dione | ME280932 | 0.93 | 1.12 | 1.11 | 0.91 | 1.10 | 0.89 | 1.07 | 1.01 | 0.99 | 1.51 | 1.01 |
2-Isopropylmaleate | ME281083 | 1.01 | 1.04 | 1.01 | 0.95 | 1.07 | 0.88 | 1.07 | 0.97 | 0.97 | 1.38 | 1.07 |
Uracil | ME281036 | 1.01 | 1.11 | 1.04 | 0.93 | 1.19 | 0.94 | 1.07 | 1.07 | 1.01 | 1.31 | 1.00 |
2-Octenedioicacid | ME281100 | 0.98 | 1.14 | 1.11 | 1.03 | 1.11 | 0.83 | 1.04 | 1.15 | 0.97 | 1.14 | 0.94 |
9-Oxononanoic acid | ME281126 | 0.98 | 1.11 | 1.05 | 0.99 | 1.08 | 0.86 | 0.99 | 1.12 | 0.84 | 1.09 | 0.98 |
2-Hydroxy-6-keto-2,4-heptadienoate | ME281096 | 0.98 | 1.15 | 1.04 | 0.99 | 1.01 | 0.96 | 0.96 | 1.12 | 0.83 | 1.23 | 1.04 |
FA (8:0) octanoic acid | ME281125 | 0.94 | 1.00 | 1.12 | 0.96 | 1.01 | 0.85 | 1.04 | 1.10 | 0.89 | 1.24 | 0.95 |
N-Nonanoylglycine | ME280930 | 1.05 | 1.07 | 1.01 | 0.99 | 1.00 | 0.81 | 1.00 | 1.10 | 0.93 | 1.28 | 1.06 |
Orthophosphate | ME281059 | 1.09 | 1.08 | 1.13 | 1.01 | 1.08 | 1.09 | 1.08 | 1.11 | 0.97 | 1.24 | 0.96 |
meso-Tartaric acid | ME281039 | 0.97 | 0.99 | 1.03 | 0.98 | 0.97 | 0.98 | 0.98 | 1.00 | 0.98 | 1.24 | 0.98 |
Secobarbital | ME280931 | 0.98 | 1.03 | 0.98 | 1.01 | 1.02 | 1.01 | 1.04 | 0.98 | 1.00 | 1.28 | 1.03 |
Citrate | ME281121 | 1.59 | 1.18 | 1.40 | 0.75 | 0.90 | 1.43 | 1.38 | 1.22 | 0.96 | 1.00 | 0.76 |
xi-8-Hydroxyhexadecanedioic acid | ME280951 | 1.53 | 1.21 | 1.28 | 0.65 | 0.68 | 1.69 | 1.06 | 0.91 | 0.73 | 0.45 | 1.15 |
D-Fructose | ME281108 | 1.14 | 1.22 | 1.24 | 1.18 | 1.21 | 0.96 | 1.18 | 1.15 | 1.12 | 0.83 | 1.21 |
Trifluoroacetic acid | ME280999 | 1.16 | 1.11 | 1.18 | 1.09 | 1.12 | 1.16 | 1.16 | 1.24 | 1.11 | 0.78 | 1.07 |
Ala-Met-Asp-Tyr | ME280975 | 1.29 | 1.13 | 1.32 | 0.98 | 1.14 | 1.01 | 1.15 | 1.27 | 0.88 | 0.22 | 0.96 |
Met-Ser | ME281109 | 1.13 | 1.21 | 1.14 | 1.12 | 1.12 | 0.90 | 1.06 | 1.27 | 1.01 | 0.36 | 0.96 |
13-14-DihydroPGF-1a | ME280972 | 1.06 | 1.64 | 1.54 | 0.70 | 0.69 | 1.33 | 1.83 | 1.31 | 0.42 | 0.55 | 0.84 |
FA methyl(15:0) tridecanedioic acid | ME280943 | 0.98 | 1.03 | 1.91 | 0.75 | 0.78 | 1.68 | 1.82 | 1.72 | 0.41 | 0.58 | 0.83 |
FA hydroxy(18:1)] | ME280964 | 1.08 | 1.15 | 1.57 | 0.94 | 0.96 | 1.36 | 1.47 | 1.37 | 0.68 | 0.78 | 0.85 |
FA oxo(16:0) | ME280950 | 1.06 | 1.05 | 1.41 | 1.08 | 1.07 | 1.11 | 1.25 | 1.31 | 0.73 | 0.88 | 0.93 |
3-Oxododecanoic acid | ME280933 | 1.13 | 1.15 | 1.89 | 1.12 | 1.00 | 1.41 | 1.67 | 1.68 | 0.60 | 0.41 | 0.96 |
[FA (6:0)] hexanal | ME281072 | 1.06 | 0.94 | 1.70 | 0.99 | 0.89 | 1.20 | 1.44 | 1.45 | 0.63 | 0.42 | 0.82 |
FA (8:1) octenal | ME281103 | 1.14 | 0.99 | 1.61 | 1.16 | 0.94 | 1.12 | 1.37 | 1.56 | 0.68 | 0.47 | 0.93 |
L-Aspartate | ME281079 | 0.73 | 1.04 | 0.79 | 0.64 | 0.82 | 0.59 | 0.68 | 0.66 | 0.69 | 3.70 | 0.76 |
D-Mannitol 1-phosphate | ME281053 | 0.71 | 0.87 | 0.82 | 0.74 | 0.85 | 0.69 | 0.74 | 0.74 | 0.66 | 2.62 | 0.71 |
D-Ribose 5-phosphate | ME280925 | 0.70 | 0.96 | 0.88 | 0.72 | 0.86 | 0.69 | 0.70 | 0.73 | 0.61 | 2.57 | 0.78 |
2(alpha-D-Mannosyl)-D-glycerate | ME281127 | 0.73 | 0.95 | 0.80 | 0.81 | 0.84 | 0.65 | 0.80 | 0.74 | 0.69 | 2.40 | 0.85 |
CMP-2-aminoethylphosphonate | ME280927 | 0.69 | 0.95 | 0.82 | 0.76 | 0.92 | 0.69 | 0.70 | 0.79 | 0.71 | 2.41 | 0.81 |
UDP-N-acetyl-D-glucosamine | ME280920 | 0.72 | 0.91 | 0.85 | 0.76 | 0.88 | 0.66 | 0.72 | 0.78 | 0.69 | 2.46 | 0.79 |
Asp-Gly | ME281068 | 0.81 | 1.23 | 0.89 | 0.58 | 0.87 | 0.54 | 0.93 | 0.68 | 0.62 | 2.65 | 0.72 |
sn-Glycerol 3-phosphate | ME281077 | 0.65 | 1.29 | 0.95 | 0.71 | 0.93 | 0.72 | 0.77 | 0.77 | 0.62 | 2.44 | 0.85 |
(R)-2-Hydroxyglutarate | ME281047 | 0.75 | 1.04 | 0.89 | 0.87 | 0.93 | 0.72 | 0.78 | 0.81 | 0.75 | 3.00 | 0.87 |
D-Galacturonate | ME281069 | 0.57 | 1.03 | 0.73 | 0.61 | 0.79 | 0.57 | 0.60 | 0.64 | 0.59 | 3.07 | 0.71 |
UDP-glucose | ME281011 | 0.66 | 0.92 | 0.80 | 0.68 | 0.84 | 0.66 | 0.70 | 0.75 | 0.59 | 2.83 | 0.63 |
Furfural diethyl acetal | ME281123 | 1.07 | 1.59 | 1.69 | 0.77 | 1.02 | 0.61 | 0.61 | 0.63 | 0.24 | 2.59 | 0.28 |
Dihydro-4,4-dimethyl-2,3-Furandione | ME281082 | 1.52 | 1.10 | 1.41 | 1.13 | 0.69 | 0.70 | 0.44 | 0.89 | NA | 1.95 | 0.20 |
Indole-3-acetaldehyde | ME281066 | 0.73 | 1.30 | 1.10 | 0.58 | 1.07 | 0.49 | 0.67 | 0.92 | NA | 1.96 | 0.25 |
(-)-Jasmonic acid | ME281008 | 0.81 | 1.22 | 1.33 | 1.25 | 0.80 | 0.51 | 0.63 | 0.74 | NA | 1.62 | 0.07 |
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine | ME280997 | 0.87 | 1.16 | 1.17 | 0.80 | 0.89 | 0.53 | 0.62 | 0.71 | NA | 1.38 | NA |
Factors:
F1 | Condition:Aqm treated |
F2 | Condition:Atov treated |
F3 | Condition:CQ treated |
F4 | Condition:DHA treated |
F5 | Condition:DMSO treated |
F6 | Condition:JPC treated |
F7 | Condition:LF treated |
F8 | Condition:MQ treated |
F9 | Condition:PYN treated |
F10 | Condition:QC |
F11 | Condition:TQ treated |