Data for (Study ST003144)

(Analysis AN005159)

Values for each metabolite have been scaled by dividing by the mean across all factors

Cluster analysis cannot be performed on this study (too few factors)

Metabolite	F1
(1,3-diphenylpropoxy)sulfonic acid	1.0000
1,4-beta-D-Glucan	1.0000
1,6-Digalloyl-beta-D-glucopyranose	1.0000
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one	1.0000
1-Deoxynojirimycin	1.0000
1-deoxyxylonojirimycin	1.0000
1-dimethylarsinoyl-octadecane	1.0000
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	1.0000
1H-Indole-3-acetamide	1.0000
1-Methylhistidine	1.0000
1-(Methylthio)-5-phenyl-1-penten-3-yne	1.0000
1-O-malyl-beta-D-glucose	1.0000
1-Stearoylglycerophosphoserine	1.0000
2,4-pentadienoic acid	1.0000
2-(4-sulfophenyl)butyrate	1.0000
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	1.0000
2-Amino-2-deoxy-D-gluconate	1.0000
2-amino-2-deoxy-D-gluconate 6-phosphate	1.0000
2-amino-2-deoxyglucitol-6-phosphate	1.0000
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(3,5-dihydroxyphenyl)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	1.0000
2-Aminoacrylic acid	1.0000
2-Aminoheptanoate	1.0000
2-Aminonaphthalene	1.0000
2^-Deoxy-5-hydroxymethylcytidine-5^-triphosphate	1.0000
2-Hydroxy-6-ketononatrienedioate	1.0000
2-Hydroxyacetaminophen sulfate	1.0000
2-Methylbutyroylcarnitine	1.0000
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate	1.0000
2-Oxoarginine	1.0000
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole	1.0000
(2R,3S)-Piscidic acid	1.0000
2-thiouridine	1.0000
3,3^,7-Trihydroxy-4^-methoxyflavone	1.0000
3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid	1.0000
{[3,4,5-trihydroxy-6-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxan-2-yl]methoxy}sulfonic acid	1.0000
3,5-dibromocatechol	1.0000
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal	1.0000
3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-5beta-cholestan-26-oic acid	1.0000
3-Amino-2-piperidone	1.0000
3-Amino-6H-dibenzo[b,d]pyran-6-one	1.0000
3-Butynoate	1.0000
3-deoxy-D-galactose	1.0000
3-Deoxyvitamin D3	1.0000
3-(Dimethylamino)propyl benzoate	1.0000
3-Hydroxyanthranilic acid	1.0000
3-Oxo-carbofuran	1.0000
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	1.0000
4-amino-4-deoxy-L-arabinose	1.0000
4-coumaroyl-3-hydroxyagmatine	1.0000
4-Guanidinobutanoic acid	1.0000
4-Heptyloxyphenol	1.0000
4-Imidazolone-5-propionic acid	1.0000
4-Methoxyglucobrassicin	1.0000
4-Oxoproline	1.0000
4-(Trimethylammonio)but-2-enoate	1.0000
5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	1.0000
5-Acetamidovalerate	1.0000
5-Aminolevulinic acid	1.0000
5-caC	1.0000
5-Hydroxy-L-tryptophan	1.0000
5-isobutylthioribose	1.0000
5^-Methylthioadenosine	1.0000
6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid	1.0000
6-diazo-5-oxonorleucine	1.0000
6-Hydroxyl-1,6-dihydropurine ribonucleoside	1.0000
6-Hydroxy-R-acenocoumarol	1.0000
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone	1.0000
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol	1.0000
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-4H-chromen-4-one	1.0000
8-(3,3-Dimethylallyl)spatheliachromene	1.0000
8-Amino-7-oxononanoate	1.0000
8-methylthiooctylhydroximoyl-L-cysteine	1.0000
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid	1.0000
Acetylcarnitine	1.0000
Adenine	1.0000
Adenosine monophosphate	1.0000
aeruginosin A	1.0000
Aklanonic acid methyl ester	1.0000
Ala/Ala/Ala	1.0000
Ala/Ala/Ala/Pro	1.0000
Ala/Ala/Ala/Ser	1.0000
Ala/Ala/Ser	1.0000
Ala/Arg	1.0000
Ala/Asn	1.0000
Ala/Asn/Asp	1.0000
Ala/Asn/Pro	1.0000
Ala/Asn/Pro/Pro	1.0000
Ala/Asp/Asp/Asn/Pro	1.0000
Ala/Asp/Cys/Tyr	1.0000
Ala/Asp/Pro	1.0000
Ala/Asp/Ser	1.0000
Ala/Cys/Cys/Asn/Thr	1.0000
Ala/Cys/Cys/Cys/Asn	1.0000
Ala/Glu/Asn/Ile	1.0000
Ala/Glu/Glu/His	1.0000
Ala/Gly/Pro	1.0000
Ala/Gly/Tyr	1.0000
Ala/His	1.0000
Ala/Ile/Arg/Ile	1.0000
Ala/Ile/Pro/Pro/Ser	1.0000
Ala/Leu/Ala/Ala	1.0000
Ala/Leu/Gly/Arg	1.0000
Ala/Leu/Gly/Tyr	1.0000
Ala/Lys	1.0000
Ala/Lys/Ala/Ala	1.0000
Ala/Lys/Asp/Pro	1.0000
Ala/Lys/Lys/Asp	1.0000
Ala/Lys/Thr/Arg	1.0000
Ala/Met/Cys/Cys	1.0000
Ala/Met/Trp/Asp	1.0000
Alanine	1.0000
alanyl-L-alpha-thiophenylglycine	1.0000
Ala/Phe/Thr/Pro	1.0000
Ala/Pro	1.0000
Ala/Pro/His/His	1.0000
Ala/Pro/Ser/Ser	1.0000
Ala/Ser/Ser	1.0000
Ala/Thr/Ala/Asp	1.0000
Ala/Thr/Ala/Ser	1.0000
Ala/Val/Asp/Ser	1.0000
Ala/Val/Gly/Pro	1.0000
Allysine	1.0000
Aloesin	1.0000
alpha-D-desosamine	1.0000
Amidosulfuron	1.0000
Aminoadipic acid	1.0000
Aminohydroquinone	1.0000
Anthemis glycoside B	1.0000
Apetalolide	1.0000
Arg/Phe/Cys/Gly	1.0000
Arg/Pro/Tyr/Arg	1.0000
Arg/Tyr	1.0000
Arsenobetaine	1.0000
Asn/Arg	1.0000
Asn/Asn	1.0000
Asn/Asp	1.0000
Asn/His	1.0000
Asn/Leu/Lys/Asp	1.0000
Asn/Leu/Pro/Pro	1.0000
Asn/Lys/Gly/Gly	1.0000
Asn/Lys/Met/Thr	1.0000
Asn/Phe/Asn/Gly	1.0000
Asn/Pro	1.0000
Asn/Thr/Cys/Ser	1.0000
Asparaginyl-Hydroxyproline	1.0000
Aspartylglycosamine	1.0000
Asp/Cys/Ser/Tyr	1.0000
Asp/Gly/Arg	1.0000
Asp/Gly/His	1.0000
Asp/His/His/Met/Trp	1.0000
Asp/Phe/Pro/His	1.0000
Asp/Pro	1.0000
Asp/Pro/Ser	1.0000
Asp/Thr/Cys/Cys	1.0000
Avicularin	1.0000
bathophenanthroline sulfonate	1.0000
Biotin	1.0000
Biotin amide	1.0000
BPH-674	1.0000
Brassicanal A	1.0000
Brusatol	1.0000
Butyrylcarnitine	1.0000
Canadine	NA
Cancentrine	1.0000
Capryloylglycine	1.0000
Carnitine	1.0000
CDP-glucose	1.0000
CDP-ribitol	1.0000
Cer(d40:1)	1.0000
Cer(d40:2)	1.0000
Cer(d42:2)	1.0000
Cerulenin	1.0000
Chlorambucil	1.0000
Chlordane	1.0000
Chlorosesamone	1.0000
Chorismate	1.0000
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	1.0000
cis-Resveratrol 3-sulfate	1.0000
Citrulline	1.0000
Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adenosylcobamide 5^-phosphate	1.0000
coelenterazine v	1.0000
Compound VII	1.0000
Creatine	1.0000
Creatinine	1.0000
CTAB	1.0000
cycloguanil	1.0000
Cys/Asp/Asp/Pro/Ser	1.0000
Cys/Cys/Asn/Gln/Thr	1.0000
Cys/Cys/Asn/Ser/Thr	1.0000
Cys/Cys/Asp/Asn/Pro	1.0000
Cys/Gly/Pro	1.0000
Cys/Gly/Ser/Tyr	1.0000
Cys/Gly/Trp/Trp/Trp	1.0000
Cys/Lys/Thr/Thr	1.0000
Cys/Lys/Thr/Thr/Thr	1.0000
Cysteineglutathione disulfide	1.0000
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}	1.0000
Deoxycytidine	1.0000
Deoxyguanidinoproclavaminic acid	1.0000
DG(36:2)	1.0000
DG(44:4)	1.0000
Diaminopimelic acid	1.0000
dibenzothiophene-5-oxide	1.0000
Diethanolamine	1.0000
Diethyl tartrate	1.0000
Dihydrobiopterin	1.0000
Dihydrozeatin-O-glucoside	1.0000
Dimethylethanolamine	1.0000
dIMP	1.0000
diuron	1.0000
DL-2-Aminooctanoic acid	1.0000
Dopa	1.0000
Ectoine	1.0000
Epinephrine	1.0000
erucamide	1.0000
erythro-D-galacto-octitol	1.0000
Erythro-imidazole-glycerol-phosphate	1.0000
Fagomine	1.0000
Ferulic acid 4-sulfate	1.0000
Galipine	NA
Gallagic acid	1.0000
gamma-Aminobutyric acid	1.0000
gamma-Fagarine	1.0000
Gamma glutamyl ornithine	1.0000
Gamma-Glutamyl-Se-methylselenocysteine	1.0000
gamma-thiomethyl glutamate	1.0000
Gentisin	1.0000
Glu/Ala/Pro	1.0000
Glu/Ala/Ser	1.0000
Glu/Ala/Thr	1.0000
Glu/Ala/Val	1.0000
Glu/Arg	1.0000
Glu/Asp/Val	1.0000
Glu/Glu/Glu/Lys/Trp	1.0000
Glu/Glu/Lys/Pro	1.0000
Glu/Glu/Pro	1.0000
Glu/Lys	1.0000
Glu/Met/Thr	1.0000
Glutamic acid	1.0000
Glutamine	1.0000
glutathione sulfinate	1.0000
Gly/Arg	1.0000
Gly/His	1.0000
Gly/Leu	1.0000
Gravacridonolchlorine	1.0000
Guanidoacetic acid	1.0000
Halosulfuron-methyl	1.0000
Heptadecanoyl carnitine	1.0000
Heterodendrin	1.0000
His/Asn/Arg/Ser/Ser	1.0000
His/His	1.0000
His/Leu	1.0000
Histidine	1.0000
Histidine trimethylbetaine	1.0000
Homocitrulline	1.0000
Homoglutathione	1.0000
Hydroxybutyrylcarnitine	1.0000
Hydroxyhexanoycarnitine	1.0000
hydroxyisovaleroyl carnitine	1.0000
Hypoxanthine	1.0000
Ile/Ala	1.0000
Ile/Ala/Ser	1.0000
Ile/Arg	1.0000
Ile/Arg/Arg/Arg/Tyr	1.0000
Ile/Cys/Gly	1.0000
Ile/Cys/Phe	1.0000
Ile/Gly/Lys	1.0000
Ile/Lys	1.0000
Ile/Lys/Pro	1.0000
Ile/Pro	1.0000
Ile/Ser	1.0000
Ile/Thr	1.0000
Ile/Tyr	1.0000
Ile/Val	1.0000
Indole	1.0000
(indolylmethylthiohydroximoyl)-L-cysteine	1.0000
Inosine	1.0000
Inositol cyclic phosphate	1.0000
Isoquinoline	1.0000
Kaempferol 3-sulfate-7-alpha-arabinopyranoside	1.0000
Kievitone hydrate	1.0000
Kynurenic acid	1.0000
Kynurenine	1.0000
Labriformin	1.0000
Lacto-N-tetraose	1.0000
Lactosylceramide (d18:1/16:0)	1.0000
Lactoylglutathione	1.0000
Lenticin	1.0000
Leucine	1.0000
Leu/Leu	1.0000
Linatine	1.0000
Linoleyl carnitine	1.0000
Longifolonine	1.0000
Lys/Ala/Gly	1.0000
Lys/Asn	1.0000
Lys/Gly	1.0000
Lys/His	1.0000
Lysine	1.0000
Lys/Met/Thr/Thr/Thr	1.0000
LysoPC(16:0)	1.0000
LysoPC(16:1)	1.0000
LysoPC(18:0)	1.0000
LysoPC(18:1)	1.0000
LysoPC(18:2)	1.0000
LysoPC(18:3)	1.0000
LysoPC(20:0)	1.0000
LysoPC(20:3)	1.0000
LysoPC(O-16:1)	1.0000
LysoPC(O-18:0)	1.0000
LysoPC(O-18:1)	1.0000
LysoPE(18:0)	1.0000
LysoPE(18:1)	1.0000
LysoPE(20:0)	1.0000
LysoPE(20:4)	1.0000
LysoPE(22:4)	1.0000
LysoPE(22:5)	1.0000
LysoPE(22:6)	1.0000
Lys/Phe	1.0000
Lys/Pro	1.0000
Lys/Ser	1.0000
Lys/Thr	1.0000
Lys/Thr/Ser	1.0000
Lys/Trp/Gly	1.0000
Lys/Val/Gly	1.0000
Maleic acid homopolymer	1.0000
malyl alpha-D-glucosaminide	1.0000
Mannitol	1.0000
meleagrin	1.0000
Met/Ala/Gly	1.0000
Methionine	1.0000
Methyl 2-diazoacetamidohexonate	1.0000
Met/Phe/Gly	1.0000
MK-129	1.0000
Montecristin	1.0000
MOPS	1.0000
Muramic acid	1.0000
Murrayanine	1.0000
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole	1.0000
N-(1-Deoxy-1-fructosyl)proline	1.0000
N2-(D-1-Carboxyethyl)-L-arginine	1.0000
N2-gamma-Glutamylglutamine	1.0000
N-(3-oxooctanoyl)-L-homoserine	1.0000
N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine	1.0000
N(6)-Methyllysine	1.0000
N6,N6,N6-Trimethyl-L-lysine	1.0000
N-Acetyl-b-glucosaminylamine	1.0000
N-Acetyl-D-fucosamine	1.0000
N-Acetyl-D-glucosamine	1.0000
N-acetyl-L-2-aminoadipate(2-)	1.0000
N-Acetyllactosamine	1.0000
N-Acetylneuraminic acid 9-phosphate	1.0000
N-Acetylvanilalanine	1.0000
N-(docosenoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	1.0000
N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol)	1.0000
Ne,Ne dimethyllysine	1.0000
Neohesperidose	1.0000
Neotussilagine	1.0000
Neuraminic acid	1.0000
N^-Formylkynurenine	1.0000
N-Formyl-L-methionine	1.0000
Ngaione (-)	1.0000
Niacinamide	1.0000
nicotinamide guanine dinucleotide	1.0000
Nigakinone	1.0000
Nitisinone	1.0000
N-(L-Arginino)succinate	1.0000
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine	1.0000
N-Palmitoylsphingosine	1.0000
N-Ribosylhistidine	1.0000
N-Sulfo-D-glucosamine	1.0000
Octylamine	1.0000
Oleoylcarnitine	1.0000
Ophthalmic acid	1.0000
Ornithine	1.0000
Otonecine	1.0000
Oxidized glutathione	1.0000
Palmitoylcarnitine	1.0000
Palmitoylethanolamide	1.0000
Pantothenic acid	1.0000
PC(29:0)	1.0000
PC(29:1)	1.0000
PC(32:1)	1.0000
PC(34:2)	1.0000
PC(35:6)	1.0000
PC(36:2)	1.0000
PC(36:3)	1.0000
PC(36:4)	1.0000
PC(38:4)	1.0000
PC(38:5)	1.0000
PC(38:6)	1.0000
PC(40:5)	1.0000
PC(40:6)	1.0000
PC(40:7)	1.0000
PC(O-16:0)	1.0000
PC(P-38:4)	1.0000
P-DPD	1.0000
PE(34:3)	1.0000
PE(35:0)	1.0000
PE(36:4)	1.0000
PE(37:1)	1.0000
PE(38:1)	1.0000
PE(42:2)	1.0000
PE(43:4)	1.0000
Pencycuron	1.0000
penem CGP31608	1.0000
PE(P-20:0)	1.0000
PE(P-36:2)	1.0000
PE(P-36:4)	1.0000
PE(P-38:3)	1.0000
PE(P-38:5)	1.0000
PE(P-38:6)	1.0000
PE(P-40:5)	1.0000
Phe/Arg	1.0000
Phe/Arg/Arg/Arg/Thr	1.0000
Phe/Asn	1.0000
Phe/Cys/Arg	1.0000
phe-FMDP	1.0000
Phe/Gly/His	1.0000
Phenylalanine	1.0000
phenyl sulfoxide	1.0000
Phosphocreatine	1.0000
Phosphophosphinate	1.0000
PI(32:1)	1.0000
Pipecolic acid	1.0000
Prenol	1.0000
Pro/His	1.0000
Proline	1.0000
Propionylcarnitine	1.0000
Pro/Ser	1.0000
Prosopinine	1.0000
Prosulfuron	1.0000
PS(34:0)	1.0000
PS(42:10)	1.0000
Pyridoxine	1.0000
Quercetagetin 3^-methylether 7-glucoside	1.0000
Quinaldic acid	1.0000
quinocarcin	1.0000
(R) 2,3-Dihydroxy-3-methylvalerate	1.0000
Resistomycin	1.0000
Ribitol	1.0000
Rugosinone	1.0000
Salicyluric beta-D-glucuronide	1.0000
(S)C(S)S-S-Methylcysteine sulfoxide	1.0000
Selenium Sulfide	1.0000
Ser/Arg	1.0000
Ser/His	1.0000
Serine	1.0000
Serotinose	1.0000
Slaframine	1.0000
SM(d32:1)	1.0000
SM(d33:1)	1.0000
SM(d34:1)	1.0000
SM(d34:2)	1.0000
SM(d35:1)	1.0000
SM(d36:1)	1.0000
SM(d37:1)	1.0000
SM(d38:1)	1.0000
SM(d38:2)	1.0000
SM(d39:1)	1.0000
SM(d39:2)	1.0000
SM(d40:1)	1.0000
SM(d40:2)	1.0000
SM(d40:3)	1.0000
SM(d41:2)	1.0000
SM(d42:1)	1.0000
SM(d42:3)	1.0000
SM(d43:1)	1.0000
SM(d43:2)	1.0000
Stearoylcarnitine	1.0000
Tecostanine	1.0000
Temurin	1.0000
tetrahydrocolumbamine	1.0000
Thiazinamium	1.0000
thioacetazone	1.0000
Thiomorpholine 3-carboxylate	NA
Thr/Ala/Pro	1.0000
Threonine	1.0000
Thr/His	1.0000
Thr/Pro	1.0000
Thr/Ser	1.0000
Thr/Trp/Cys	1.0000
Thr/Trp/Pro	1.0000
trametinib	1.0000
Triacetin	1.0000
Triadimenol	1.0000
tridecadienoic acid	1.0000
triethylene glycol	1.0000
Trp/Asn	1.0000
Trp/Cys/Arg	1.0000
Trp/Cys/Gly	1.0000
Tryptophan	1.0000
tunicamine	1.0000
Tyrosine	1.0000
Val/Arg	1.0000
Val/Asp	1.0000
Val/Gly	1.0000
Val/His	1.0000
Valine	1.0000
Val/Pro	1.0000
versicolorin A	1.0000
Vulgaxanthin-II	1.0000
Xestoaminol C	1.0000
Zearalenone 4-sulfate	1.0000

Cluster analysis cannot be performed on this study (too few factors)

Factors:

F1	Sample source:iRBC | treatment:Compound MMV1557817