Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2
11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrienoic acid]	6216600.00	5947340.00
11(S)-HETE [11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid]	6899120.00	6636280.00
12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]	27723.60	39532.40
(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaen...	306734.00	419114.00
12-Hete	2271400.00	2570760.00
(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic a...	6159040.00	6934580.00
13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid]	265348.00	161540.00
13-methylmyristic acid	3712.72	2450.44
13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]	93025.40	89406.00
14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoi...	925808.00	827658.00
(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaen...	139882.00	119708.60
15-oxoETE [15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid]	31895.20	34303.80
(±)16-HETE [(±)16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...	4997.58	4198.58
17(18)-EpETE [(±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic...	4287.64	4304.70
(±)17-HDHA [(±)17-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexa...	148398.00	144843.00
(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...	4674.20	4006.58
(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaen...	105446.60	149980.20
(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...	7341.06	6505.86
1-Naphthol	4905.34	5997.42
1-Naphthylacetic Acid	35462.00	36272.00
1-Nonanal	93243000.00	88128800.00
1-Tetradecanol	19392.00	18887.80
2,2-Dimethyl Succinic acid	136386.80	107326.80
2,4-Dihydroxybenzoic Acid	3824.64	8113.34
2,4-Di-tert-butylphenol	42911.80	42771.40
2-(4-Hydroxyphenyl)ethanol	1030880.00	1194990.00
2,5-Dihydroxy Benzoic Acid	53206.64	127255.00
2,6-Dihydroxypurine	60607400.00	51470800.00
2-Aminoethanesulfonic Acid	235584000.00	233094000.00
2-Aminoisobutyric Acid	3563.20	3816.26
2^-Deoxycytidine-5^-Monophosphate	1022540.00	812178.00
2-Deoxyribose 1-Phosphate	132590.00	127054.40
2^-Deoxyuridine	52834.00	55251.20
2-(Formylamino)Benzoic Acid	59043.40	64676.40
2-Hydroxybutanoic Acid	873922.00	665162.00
2-Hydroxyisocaproic Acid	43188.00	47597.60
2-Methoxybenzoic Acid	11640.60	4186.02
2-Methylbenzoic acid	8964820.00	8573960.00
2-Methylglutaric Acid	131654.00	102395.40
2-Methylsuccinic Acid	278402.20	324562.00
2-(Methylthio)ethanol	244854.00	321414.00
2-nonanol	283740.00	283158.00
2-Nonanone	104542400.00	101711400.00
2-n-Pentylfuran	241.72	194.11
2-Phenylbutyric acid	37583.80	59637.20
3,3^,5^-Triiodothyronine	1392.73	823.89
3-(3-Hydroxyphenyl)Propionate Acid	2957584.00	1466750.00
3,4-Dihydroxybenzeneacetic Acid	49399.00	36932.20
3-(4-Hydroxyphenyl)-Propionic Acid	2922694.00	1565246.00
3-Aminosalicylic Acid	6484.22	9827.34
3-Hydroxy-3-Methyl Butyric Acid	342876.00	365104.00
3-Hydroxyanthranilic Acid	43768.00	27106.20
3-Hydroxybutyrate	2839720.00	2328582.00
3-Hydroxypicolinic acid	6271.04	3280.50
3-Indolebutyric Acid	66740.20	55505.20
3-Indolepropionic Acid	197289.80	138722.60
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate	36570.60	39249.20
3-Methoxy-4-Hydroxyphenylethyleneglycol Sulfate	14478.00	15479.70
3-Methyladipic acid	217690.00	192276.00
3-Methylcrotonyl Glycine	15477.80	20859.94
3-Methylglutaric acid	132495.40	100195.00
3^-Sialyllactose	13349.28	12352.32
3-Ureidopropionate	20739.80	23377.00
(±)4-HDHA [(±)4-hydroxy-5E,7Z,10Z,13Z,16Z,19Z-docosahexaen...	8999.12	7345.68
4-Hydroxybenzoic Acid	152430.00	114093.60
4-Hydroxyhippurate	5157.52	9145.72
4-Hydroxy-L-Glutamic Acid	16831.60	11467.50
4-Methylcatechol	5328.84	3117.28
4-Oxopentanoate	5591.00	7104.18
4-tert-Octylphenol	336002.00	338952.00
(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoi...	7143.36	9144.66
(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic aci...	118700.80	144486.00
5-HETrE [5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid]	3456.28	3177.32
5-Hydroxyhexanoic Acid	123080.60	96126.80
5-Hydroxymethyluracil	55967.20	60111.20
5-Methoxytryptophol	344008.00	249710.00
5-oxoETE [5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid]	4345.06	4048.02
5(S),15(S)-DiHETE [5S,15S-dihydroxy-6E,8Z,10Z,13E-eicosatetr...	47607.80	46802.20
6 keto-PGF1α [6-oxo-9α,11α,15S-trihydroxy-prost-13E-en-1-...	5958500.00	5452020.00
6β-hydroxytestosterone	10264.06	9549.80
(±)7-HDHA [(±)7-hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaen...	4306.32	4597.36
7-ketodeoxycholic acid	134616.20	152239.60
7-Methylguanosine	164564.00	149778.00
8,15-Dihete	7541540.00	6915160.00
8-Hydroxy-2-Deoxyguanosine	14539.40	13217.42
9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic acid]	349308.00	242188.00
9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]	17571.40	17454.00
(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic ac...	71397.60	83416.60
9-HOTrE [9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid]	27517.80	23545.80
9-Hpode	79968.00	56112.80
9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]	21970.00	22074.40
Adenosine 5^-Monophosphate	683546.00	806470.00
Adipic Acid	152131.60	126033.80
ADP-ribose	999912.00	934794.00
Adrenochrome	1071226.00	1007708.00
A-Ketoglutaric Acid	154316.60	123393.60
Allantoin	399446.00	337814.00
Allysine	16485.78	19241.80
Aminomalonic Acid	35373.20	33255.80
Anthranilic acid	7760.14	5193.84
Arachidic Acid(C20:0)	629104.00	463434.00
Argininosuccinic acid	16245820.00	15858400.00
Aspirin	444732.00	263002.00
Azelaic Acid	14773540.00	9927160.00
Benzoic Acid	941268.00	885464.00
Biopterin	840912.00	675170.00
Butyl?Acetate	205544.00	166250.00
Caffeic Acid	122559.60	112225.60
Carbamoyl phosphate	4663060.00	4089880.00
Chenodeoxycholic Acid	4038450.00	3888876.00
Cinnamoylglycine	114408.20	88123.80
Cis-11,14,17-Eicosatrienoic Acid (C20:3)	193742.00	180100.00
Cis-11,14-Eicosadienoic Acid (C20:2)	19052.60	16631.40
Cis-3-Hexenylacetate	96344600.00	95198600.00
cis-4-Hydroxy-D-proline	1012088.00	955608.00
cis-7-Hexadecenoic Acid	172802000.00	146839200.00
Citraconic Acid	94510.20	84498.00
Citramalic Acid	224872.00	227992.00
Citric Acid	18272400.00	12398580.00
Creatine	3720020.00	3345420.00
Creatine Phosphate	183604.00	160166.00
Curcumin	29189.60	28346.00
Cyclamic acid	4932.64	5129.10
Cysteine glutathione disulfide	11913920.00	10439440.00
D-Alanyl-D-Alanine	8682.64	8896.92
D-Arabinose 5-phosphate	12193640.00	12272140.00
Deoxyadenosine	8346.58	7082.98
Deoxycholic Acid	4074468.00	3877526.00
deoxyguanosine 5^-monophosphate (dGMP)	1835300.00	2193288.00
Deoxyribose 5-Phosphate	193022.00	151811.60
D-Fructose	425690.00	330364.00
D-Fructose-1,6-Biphosphate-Trisodium Salt	357952.00	415944.00
D-Fructose 6-phosphate	165090000.00	171364000.00
D-Fructose 6-Phosphate-Disodium Salt	54729200.00	52635800.00
D-Galactose	481064.00	401368.00
D-Glucarate	16485.60	13283.20
D-Glucopyranose	553510.00	372522.00
D-Glucoronic Acid	253418.00	276372.00
D-Glucosamine 6-Phosphate	292880.00	296918.00
D-Glucose	422368.00	335880.00
D-Glucose 6-Phosphate	167340000.00	165432000.00
D-Glucuronolactone	16536.50	10434.50
DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]	1983520.00	1944920.00
Dihydroxyacetone phosphate	5962720.00	6273500.00
Dimethylmalonic acid	285940.00	310312.00
DL-3,4-Dihydroxyphenyl glycol	194920.00	128599.00
D-Lactic Acid	908256.00	783030.00
DL-Benzylsuccinic acid	510232.00	686994.00
Dl-Glyceraldehyde3-Phosphate	6357820.00	6571720.00
D-(+)-Malic acid	12542300.00	8204660.00
D-Malic Acid	15366200.00	10306540.00
D-Mannose	277350.00	223156.00
D-Mannose 6-phosphate	160804000.00	168460000.00
Dodecanoic Acid(C12:0)	532064.00	486602.00
D-Sorbitol	27171.80	39002.40
Dulcitol	1066700.00	1062448.00
D-Xylulose 5-phosphate	12944200.00	13172200.00
Elaidic Acid (C18:1N9T)	70489.80	61941.40
Enterodiol	250646.60	78438.80
EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]	12152400.00	10386460.00
Epinephrine	83393.20	86189.20
estrone 3-sulfate	145425.92	129745.20
Ethylmalonate	48210.00	45589.00
Ethylsalicylate	73091.20	64307.80
Flavin Adenine Dinucleotide	1116868.00	847674.00
Formononetin	67316.40	42324.40
Fumaric Acid	42400.00	36768.00
Galactaric acid	16062.32	12217.12
Gamma-Glu-Leu	116009.80	174787.20
GDP-L-fucose	96285.60	71651.00
Glucotropaeolin	4464.58	3665.59
Glutaric Acid	296060.00	330932.00
Glycerol 3-phosphate	4567680.00	6152500.00
Glycochenodeoxycholic Acid	17078.40	32694.00
Glycocholic Acid	31970.22	50230.00
Guanidinoethyl Sulfonate	392258.00	259770.00
Hexadecanedioic acid	776722.00	555700.00
Hexadecanoic Acid (C16:0)	26160400.00	22900000.00
Hexanoyl Glycine	504322.00	381678.20
Hydrocinnamic Acid	964090.00	937286.00
Hydroquinone	678834.80	459936.00
Hydroxyphenyllactic acid	34702.60	48878.40
Hyodeoxycholic Acid	910269.80	5031372.00
Hypoxanthine	43050600.00	39963800.00
Hypoxanthine-9-β-D-Arabinofuranoside	199742000.00	178690000.00
Indole-2-Carboxylic Acid	232344.00	186911.40
INDOLE-3-CARBINOL	58480.20	43470.06
Indole-3-Carboxaldehyde	23728.60	18358.46
Indole-3-Ethanol	22443.90	5307.02
Indoleacetaldehyde	2344320.00	2217740.00
Indolelactic acid	4586.94	4153.12
Indoxylsulfuric acid	695130.00	621782.00
Inosine	201256000.00	173038000.00
Inosine 5^-Monophosphate	166706.40	359398.00
Inosine diphosphate (IDP)	30357.00	36019.60
Inositol	1836180.00	1542356.00
Kinic Acid	2065480.00	1314958.00
L-3-Phenyllactic Acid	3393530.00	1791958.00
L-Arabitol	10456.98	11429.44
L-Arginine	132182.00	135784.00
L-Asparagine Anhydrous	282924.00	347924.00
L-Aspartic Acid	18316800.00	17505200.00
L-Carnosine	86249.40	77701.40
L-Dihydroorotic Acid	130266.00	124108.00
L-Glutamic Acid	26848800.00	26202200.00
Linoleic Acid (C18:2N6C)	28850400.00	26406600.00
LipoxinA4 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraeno...	2159.62	2247.06
L-Isoleucine	405442.00	399204.00
L-Lactic Acid	819332.00	678492.00
L-Leucine	291132.00	276080.00
L-Malic Acid	14542000.00	10172480.00
L-Serine	800476.00	888488.00
LTB4 [5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid]	9349.26	11027.36
LTD4 [5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11Z,14Z-eico...	2271.44	2262.24
LTE4 [5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetrae...	3874.34	4084.22
L-Threonine	970886.00	1087306.00
LXA5 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E,17Z-eicosapentaenoi...	1738.34	1506.76
LXB4 [5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic a...	44034.40	42736.80
Lysopa 16:0	1030994.00	857738.00
Lysopa 18:0	338529.80	344070.00
Lysope 14:0	977554.00	872108.00
Lysope 16:0	73091400.00	72202200.00
Lysope 18:0	59702800.00	61304400.00
Lysope 18:1	62403400.00	59180400.00
Lysopg 18:1	204128.00	192410.00
Lysops 22:6	8521.22	7044.48
Malonicacid	4119340.00	3566660.00
Maltol	5226.74	4997.98
Mandelic Acid	504442.00	274202.00
MARMESIN	108603.80	171497.00
m-Coumaric acid	39972.20	59024.00
Methanesulfonic acid	418646.00	438038.00
Methyl hexadecanoate	13134.48	16713.40
Methylmalonic Acid	1092672.00	932978.00
Methylparaben	45164.20	43316.20
Methylstearate	3212.76	3787.88
Mono-Methyl Glutarate	151312.00	143784.00
Myoinositol	2124740.00	1581200.00
Myristic acid	2562.88	2209.16
N-(2-Methylbenzoyl)glycine	12079.40	19810.10
N-Acetylaspartylglutamic acid	128700.40	80444.60
N-acetyl-beta-alanine	3748100.00	4059600.00
N-Acetyl-D-Glucosamine	35448.80	32958.00
N-Acetylglucosamine 1-Phosphate	8005220.00	7430660.00
N-Acetyl-L-Glutamic Acid	461120.00	536656.00
N-Acetyl-L-Leucine	85337.40	81835.60
N-Acetyl-L-Tyrosine	48549.20	42223.00
N-Acetylmethionine	356244.00	360900.00
N-Acetylneuraminic Acid	103253.00	99875.00
N-acetylornithine	3550800.00	3824600.00
N-Acetylphenylalanine	39332.80	38433.20
N-Acetylthreonine	72476.60	77669.00
N-Acetylvaline	18049.80	15341.48
N-Amidino-L-Aspartate	153304.00	158454.00
Neopterin	306492.00	299880.00
Nicotinamide-N-Oxide	143763.80	104931.20
Nicotinic Acid	562022.00	529340.80
N-Isovaleroylglycine	138445.60	201231.20
N-lactoyl-phenylalanine	583890.00	512038.00
N-Oleoyl Glycine	7068.92	5985.30
Nonadecylic acid	20309.00	20298.40
N-Phenylacetylglycine	815956.00	1329530.00
O-Acetyl-L-serine	1179268.00	1100920.00
O-Phospho-L-Serine	126282.00	132620.00
O-Phosphorylethanolamine	4423700.00	4340800.00
Orcinol	2757.16	2626.56
Orotidine	47248.40	27305.00
Oxaloacetic acid	14774.40	18435.40
Oxoadipic Acid	706058.00	504644.00
Palmitaldehyde	4025420.00	4335240.00
Palmitoleic Acid (C16:1)	28323800.00	23637200.00
Pantetheine	41289.20	23257.80
Pantothenate	5394600.00	5700920.00
Pantothenol	21131.60	26266.00
P-Coumaric Acid	41946.40	63656.00
PDX [10(S),17(S)-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexae...	22866.60	16262.00
PE(18:1(9Z)/0:0)	67842800.00	65387000.00
PGD1 [9α,15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid]	568292.00	464348.00
PGD2 [9α,15S-dihydroxy-11-oxo-prosta-5Z,13E-dien-1-oic acid...	1467740.00	1797020.00
PGE1 [9-oxo-11α,15S-dihydroxy-prost-13E-en-1-oic acid]	1694740.00	1438380.00
PGE2 [9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid...	5703900.00	5426680.00
PGF1α [9α,11α,15S-trihydroxy-prost-13E-en-1-oic acid]	41979.00	35392.80
PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien-1-oic aci...	588246.00	516010.00
PGJ2 [11-oxo-15S-hydroxy-prosta-5Z,9,13E-trien-1-oic acid]	1004646.00	1264100.00
PGK1 [9,11-dioxo-15S-hydroxy-prost-13E-en-1-oic acid]	6338.96	5851.28
PHENYL-BETA-D-GLUCOPYRANOSIDE	279088.00	244766.00
Phenyllactate (Pla)	24125.40	12010.56
Phenylpyruvate	1811760.00	1662740.00
Phenylpyruvic Acid	750602.00	672698.00
Phe-Phe	4814.16	3245.62
P–Hydroxyphenyl Acetic Acid	473358.00	263750.00
Pimelic acid	210444.00	190474.00
Porphobilinogen	63509.20	44629.20
Propylparaben	13585.60	12693.20
Pyridoxal 5^-Phosphate	51287.00	37228.00
Pyrophosphate	5579860.00	4847440.00
Pyrrole-2-Carboxylic Acid	15058.22	12113.52
Pyrroloquinoline Quinone	628052.00	582120.00
Ribitol	25136.60	34839.00
Ribulose-5-Phosphate	7306160.00	7270160.00
RICINOLEIC ACID	263558.00	258928.00
RvD5 [7S,17S-dihydroxy-4Z,8E,10Z,13Z,15E,19Z-docosahexaenoic...	4702.88	3762.72
(S)-(-)-2-Hydroxyisocaproic Acid	261972.00	273914.00
S-(5-Adenosy)-L-Homocysteine	1050470.00	582162.00
Salicylic acid	1114524.00	1260700.00
Salicyluric acid	4169.68	6803.06
Sarcosine	29588.40	29162.80
Scyllo inositol	1870040.00	1357800.00
Shikimic Acid	17765980.00	23476040.00
Sorbic acid	243838.00	230642.00
S-Sulfo-L-Cysteine	36176.40	39583.36
Succinic Acid	82855.40	80102.60
Succinic anhydride	4803660.00	4684080.00
Sulfacetamide	399566.00	346678.00
Taurochenodesoxycholic Acid	32370.00	414121.60
Taurocholic Acid	340938.00	3242086.00
Tauroursodeoxycholic Acid	27988.60	399116.60
Terephthalic Acid	138134.00	121704.00
Tetradecanedioic acid	252202.00	219480.00
Thiamine Triphosphate	19662.20	20350.60
Tiglic acid	4872860.00	4673260.00
Trans-4-Hydroxy-L-Proline	989030.00	977048.00
Trans,Trans-Muconic Acid	17694000.00	17247600.00
Tridecanoic Acid	5141.04	4435.48
TRP-GLU	51808.40	42890.00
Tryptamine	249582.00	241138.00
TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-oic acid]	744372.00	497252.00
TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic ac...	7844.48	5293.28
Tyramine	6486.74	6374.84
UDP-glucose	3382640.00	5040260.00
Uracil	234384.00	233598.00
Ureidoisobutyric Acid	8093.42	8949.86
Uridine	4811580.00	5479500.00
Uridine 5’-Diphosphate	7658.04	10874.46
Uridine 5^-Diphospho-N-Acetylgalactosamine	267580.00	340690.00
Uridine 5-Monophosphate	2831660.00	2761740.00
Ursodeoxycholic Acid	36674.14	76017.40
Vanillic Acid	31018.20	33403.00
Vanillin	38848.00	36967.00
Vanillylmandelic acid	8582.30	7838.72
Xanthosine	4368200.00	3046240.00
Α-Hydroxyisobutyric Acid	173788.00	132444.00
Α-Linolenic Acid(C18:3N3)	96672.60	63053.40
Β-Hydroxypyruvic Acid	4008560.00	3642940.00
Γ-Glutamate-Cysteine	44509.60	62104.00
γ-Linolenic Acid(C18:3N6)	97647.80	72730.40

11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrienoic acid]

6216600.00

5947340.00

11(S)-HETE [11S-hydroxy-5Z,8Z,12E,14Z-eicosatetraenoic acid]

6899120.00

6636280.00

12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]

27723.60

39532.40

(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaen...

306734.00

419114.00

12-Hete

2271400.00

2570760.00

(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic a...

6159040.00

6934580.00

13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid]

265348.00

161540.00

13-methylmyristic acid

3712.72

2450.44

13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]

93025.40

89406.00

14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoi...

925808.00

827658.00

(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaen...

139882.00

119708.60

15-oxoETE [15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic acid]

31895.20

34303.80

(±)16-HETE [(±)16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...

4997.58

4198.58

17(18)-EpETE [(±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic...

4287.64

4304.70

(±)17-HDHA [(±)17-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexa...

148398.00

144843.00

(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...

4674.20

4006.58

(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaen...

105446.60

149980.20

(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic a...

7341.06

6505.86

1-Naphthol

4905.34

5997.42

1-Naphthylacetic Acid

35462.00

36272.00

1-Nonanal

93243000.00

88128800.00

1-Tetradecanol

19392.00

18887.80

2,2-Dimethyl Succinic acid

136386.80

107326.80

2,4-Dihydroxybenzoic Acid

3824.64

8113.34

2,4-Di-tert-butylphenol

42911.80

42771.40

2-(4-Hydroxyphenyl)ethanol

1030880.00

1194990.00

2,5-Dihydroxy Benzoic Acid

53206.64

127255.00

2,6-Dihydroxypurine

60607400.00

51470800.00

2-Aminoethanesulfonic Acid

235584000.00

233094000.00

2-Aminoisobutyric Acid

3563.20

3816.26

2^-Deoxycytidine-5^-Monophosphate

1022540.00

812178.00

2-Deoxyribose 1-Phosphate

132590.00

127054.40

2^-Deoxyuridine

52834.00

55251.20

2-(Formylamino)Benzoic Acid

59043.40

64676.40

2-Hydroxybutanoic Acid

873922.00

665162.00

2-Hydroxyisocaproic Acid

43188.00

47597.60

2-Methoxybenzoic Acid

11640.60

4186.02

2-Methylbenzoic acid

8964820.00

8573960.00

2-Methylglutaric Acid

131654.00

102395.40

2-Methylsuccinic Acid

278402.20

324562.00

2-(Methylthio)ethanol

244854.00

321414.00

2-nonanol

283740.00

283158.00

2-Nonanone

104542400.00

101711400.00

2-n-Pentylfuran

241.72

194.11

2-Phenylbutyric acid

37583.80

59637.20

3,3^,5^-Triiodothyronine

1392.73

823.89

3-(3-Hydroxyphenyl)Propionate Acid

2957584.00

1466750.00

3,4-Dihydroxybenzeneacetic Acid

49399.00

36932.20

3-(4-Hydroxyphenyl)-Propionic Acid

2922694.00

1565246.00

3-Aminosalicylic Acid

6484.22

9827.34

3-Hydroxy-3-Methyl Butyric Acid

342876.00

365104.00

3-Hydroxyanthranilic Acid

43768.00

27106.20

3-Hydroxybutyrate

2839720.00

2328582.00

3-Hydroxypicolinic acid

6271.04

3280.50

3-Indolebutyric Acid

66740.20

55505.20

3-Indolepropionic Acid

197289.80

138722.60

(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate

36570.60

39249.20

3-Methoxy-4-Hydroxyphenylethyleneglycol Sulfate

14478.00

15479.70

3-Methyladipic acid

217690.00

192276.00

3-Methylcrotonyl Glycine

15477.80

20859.94

3-Methylglutaric acid

132495.40

100195.00

3^-Sialyllactose

13349.28

12352.32

3-Ureidopropionate

20739.80

23377.00

(±)4-HDHA [(±)4-hydroxy-5E,7Z,10Z,13Z,16Z,19Z-docosahexaen...

8999.12

7345.68

4-Hydroxybenzoic Acid

152430.00

114093.60

4-Hydroxyhippurate

5157.52

9145.72

4-Hydroxy-L-Glutamic Acid

16831.60

11467.50

4-Methylcatechol

5328.84

3117.28

4-Oxopentanoate

5591.00

7104.18

4-tert-Octylphenol

336002.00

338952.00

(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoi...

7143.36

9144.66

(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic aci...

118700.80

144486.00

5-HETrE [5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid]

3456.28

3177.32

5-Hydroxyhexanoic Acid

123080.60

96126.80

5-Hydroxymethyluracil

55967.20

60111.20

5-Methoxytryptophol

344008.00

249710.00

5-oxoETE [5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid]

4345.06

4048.02

5(S),15(S)-DiHETE [5S,15S-dihydroxy-6E,8Z,10Z,13E-eicosatetr...

47607.80

46802.20

6 keto-PGF1α [6-oxo-9α,11α,15S-trihydroxy-prost-13E-en-1-...

5958500.00

5452020.00

6β-hydroxytestosterone

10264.06

9549.80

(±)7-HDHA [(±)7-hydroxy-4Z,8E,10Z,13Z,16Z,19Z-docosahexaen...

4306.32

4597.36

7-ketodeoxycholic acid

134616.20

152239.60

7-Methylguanosine

164564.00

149778.00

8,15-Dihete

7541540.00

6915160.00

8-Hydroxy-2-Deoxyguanosine

14539.40

13217.42

9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic acid]

349308.00

242188.00

9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]

17571.40

17454.00

(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic ac...

71397.60

83416.60

9-HOTrE [9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid]

27517.80

23545.80

9-Hpode

79968.00

56112.80

9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]

21970.00

22074.40

Adenosine 5^-Monophosphate

683546.00

806470.00

Adipic Acid

152131.60

126033.80

ADP-ribose

999912.00

934794.00

Adrenochrome

1071226.00

1007708.00

A-Ketoglutaric Acid

154316.60

123393.60

Allantoin

399446.00

337814.00

Allysine

16485.78

19241.80

Aminomalonic Acid

35373.20

33255.80

Anthranilic acid

7760.14

5193.84

Arachidic Acid(C20:0)

629104.00

463434.00

Argininosuccinic acid

16245820.00

15858400.00

Aspirin

444732.00

263002.00

Azelaic Acid

14773540.00

9927160.00

Benzoic Acid

941268.00

885464.00

Biopterin

840912.00

675170.00

Butyl?Acetate

205544.00

166250.00

Caffeic Acid

122559.60

112225.60

Carbamoyl phosphate

4663060.00

4089880.00

Chenodeoxycholic Acid

4038450.00

3888876.00

Cinnamoylglycine

114408.20

88123.80

Cis-11,14,17-Eicosatrienoic Acid (C20:3)

193742.00

180100.00

Cis-11,14-Eicosadienoic Acid (C20:2)

19052.60

16631.40

Cis-3-Hexenylacetate

96344600.00

95198600.00

cis-4-Hydroxy-D-proline

1012088.00

955608.00

cis-7-Hexadecenoic Acid

172802000.00

146839200.00

Citraconic Acid

94510.20

84498.00

Citramalic Acid

224872.00

227992.00

Citric Acid

18272400.00

12398580.00

Creatine

3720020.00

3345420.00

Creatine Phosphate

183604.00

160166.00

Curcumin

29189.60

28346.00

Cyclamic acid

4932.64

5129.10

Cysteine glutathione disulfide

11913920.00

10439440.00

D-Alanyl-D-Alanine

8682.64

8896.92

D-Arabinose 5-phosphate

12193640.00

12272140.00

Deoxyadenosine

8346.58

7082.98

Deoxycholic Acid

4074468.00

3877526.00

deoxyguanosine 5^-monophosphate (dGMP)

1835300.00

2193288.00

Deoxyribose 5-Phosphate

193022.00

151811.60

D-Fructose

425690.00

330364.00

D-Fructose-1,6-Biphosphate-Trisodium Salt

357952.00

415944.00

D-Fructose 6-phosphate

165090000.00

171364000.00

D-Fructose 6-Phosphate-Disodium Salt

54729200.00

52635800.00

D-Galactose

481064.00

401368.00

D-Glucarate

16485.60

13283.20

D-Glucopyranose

553510.00

372522.00

D-Glucoronic Acid

253418.00

276372.00

D-Glucosamine 6-Phosphate

292880.00

296918.00

D-Glucose

422368.00

335880.00

D-Glucose 6-Phosphate

167340000.00

165432000.00

D-Glucuronolactone

16536.50

10434.50

DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]

1983520.00

1944920.00

Dihydroxyacetone phosphate

5962720.00

6273500.00

Dimethylmalonic acid

285940.00

310312.00

DL-3,4-Dihydroxyphenyl glycol

194920.00

128599.00

D-Lactic Acid

908256.00

783030.00

DL-Benzylsuccinic acid

510232.00

686994.00

Dl-Glyceraldehyde3-Phosphate

6357820.00

6571720.00

D-(+)-Malic acid

12542300.00

8204660.00

D-Malic Acid

15366200.00

10306540.00

D-Mannose

277350.00

223156.00

D-Mannose 6-phosphate

160804000.00

168460000.00

Dodecanoic Acid(C12:0)

532064.00

486602.00

D-Sorbitol

27171.80

39002.40

Dulcitol

1066700.00

1062448.00

D-Xylulose 5-phosphate

12944200.00

13172200.00

Elaidic Acid (C18:1N9T)

70489.80

61941.40

Enterodiol

250646.60

78438.80

EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]

12152400.00

10386460.00

Epinephrine

83393.20

86189.20

estrone 3-sulfate

145425.92

129745.20

Ethylmalonate

48210.00

45589.00

Ethylsalicylate

73091.20

64307.80

Flavin Adenine Dinucleotide

1116868.00

847674.00

Formononetin

67316.40

42324.40

Fumaric Acid

42400.00

36768.00

Galactaric acid

16062.32

12217.12

Gamma-Glu-Leu

116009.80

174787.20

GDP-L-fucose

96285.60

71651.00

Glucotropaeolin

4464.58

3665.59

Glutaric Acid

296060.00

330932.00

Glycerol 3-phosphate

4567680.00

6152500.00

Glycochenodeoxycholic Acid

17078.40

32694.00

Glycocholic Acid

31970.22

50230.00

Guanidinoethyl Sulfonate

392258.00

259770.00

Hexadecanedioic acid

776722.00

555700.00

Hexadecanoic Acid (C16:0)

26160400.00

22900000.00

Hexanoyl Glycine

504322.00

381678.20

Hydrocinnamic Acid

964090.00

937286.00

Hydroquinone

678834.80

459936.00

Hydroxyphenyllactic acid

34702.60

48878.40

Hyodeoxycholic Acid

910269.80

5031372.00

Hypoxanthine

43050600.00

39963800.00

Hypoxanthine-9-β-D-Arabinofuranoside

199742000.00

178690000.00

Indole-2-Carboxylic Acid

232344.00

186911.40

INDOLE-3-CARBINOL

58480.20

43470.06

Indole-3-Carboxaldehyde

23728.60

18358.46

Indole-3-Ethanol

22443.90

5307.02

Indoleacetaldehyde

2344320.00

2217740.00

Indolelactic acid

4586.94

4153.12

Indoxylsulfuric acid

695130.00

621782.00

Inosine

201256000.00

173038000.00

Inosine 5^-Monophosphate

166706.40

359398.00

Inosine diphosphate (IDP)

30357.00

36019.60

Inositol

1836180.00

1542356.00

Kinic Acid

2065480.00

1314958.00

L-3-Phenyllactic Acid

3393530.00

1791958.00

L-Arabitol

10456.98

11429.44

L-Arginine

132182.00

135784.00

L-Asparagine Anhydrous

282924.00

347924.00

L-Aspartic Acid

18316800.00

17505200.00

L-Carnosine

86249.40

77701.40

L-Dihydroorotic Acid

130266.00

124108.00

L-Glutamic Acid

26848800.00

26202200.00

Linoleic Acid (C18:2N6C)

28850400.00

26406600.00

LipoxinA4 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraeno...

2159.62

2247.06

L-Isoleucine

405442.00

399204.00

L-Lactic Acid

819332.00

678492.00

L-Leucine

291132.00

276080.00

L-Malic Acid

14542000.00

10172480.00

L-Serine

800476.00

888488.00

LTB4 [5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid]

9349.26

11027.36

LTD4 [5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11Z,14Z-eico...

2271.44

2262.24

LTE4 [5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetrae...

3874.34

4084.22

L-Threonine

970886.00

1087306.00

LXA5 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E,17Z-eicosapentaenoi...

1738.34

1506.76

LXB4 [5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosatetraenoic a...

44034.40

42736.80

Lysopa 16:0

1030994.00

857738.00

Lysopa 18:0

338529.80

344070.00

Lysope 14:0

977554.00

872108.00

Lysope 16:0

73091400.00

72202200.00

Lysope 18:0

59702800.00

61304400.00

Lysope 18:1

62403400.00

59180400.00

Lysopg 18:1

204128.00

192410.00

Lysops 22:6

8521.22

7044.48

Malonicacid

4119340.00

3566660.00

Maltol

5226.74

4997.98

Mandelic Acid

504442.00

274202.00

MARMESIN

108603.80

171497.00

m-Coumaric acid

39972.20

59024.00

Methanesulfonic acid

418646.00

438038.00

Methyl hexadecanoate

13134.48

16713.40

Methylmalonic Acid

1092672.00

932978.00

Methylparaben

45164.20

43316.20

Methylstearate

3212.76

3787.88

Mono-Methyl Glutarate

151312.00

143784.00

Myoinositol

2124740.00

1581200.00

Myristic acid

2562.88

2209.16

N-(2-Methylbenzoyl)glycine

12079.40

19810.10

N-Acetylaspartylglutamic acid

128700.40

80444.60

N-acetyl-beta-alanine

3748100.00

4059600.00

N-Acetyl-D-Glucosamine

35448.80

32958.00

N-Acetylglucosamine 1-Phosphate

8005220.00

7430660.00

N-Acetyl-L-Glutamic Acid

461120.00

536656.00

N-Acetyl-L-Leucine

85337.40

81835.60

N-Acetyl-L-Tyrosine

48549.20

42223.00

N-Acetylmethionine

356244.00

360900.00

N-Acetylneuraminic Acid

103253.00

99875.00

N-acetylornithine

3550800.00

3824600.00

N-Acetylphenylalanine

39332.80

38433.20

N-Acetylthreonine

72476.60

77669.00

N-Acetylvaline

18049.80

15341.48

N-Amidino-L-Aspartate

153304.00

158454.00

Neopterin

306492.00

299880.00

Nicotinamide-N-Oxide

143763.80

104931.20

Nicotinic Acid

562022.00

529340.80

N-Isovaleroylglycine

138445.60

201231.20

N-lactoyl-phenylalanine

583890.00

512038.00

N-Oleoyl Glycine

7068.92

5985.30

Nonadecylic acid

20309.00

20298.40

N-Phenylacetylglycine

815956.00

1329530.00

O-Acetyl-L-serine

1179268.00

1100920.00

O-Phospho-L-Serine

126282.00

132620.00

O-Phosphorylethanolamine

4423700.00

4340800.00

Orcinol

2757.16

2626.56

Orotidine

47248.40

27305.00

Oxaloacetic acid

14774.40

18435.40

Oxoadipic Acid

706058.00

504644.00

Palmitaldehyde

4025420.00

4335240.00

Palmitoleic Acid (C16:1)

28323800.00

23637200.00

Pantetheine

41289.20

23257.80

Pantothenate

5394600.00

5700920.00

Pantothenol

21131.60

26266.00

P-Coumaric Acid

41946.40

63656.00

PDX [10(S),17(S)-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexae...

22866.60

16262.00

PE(18:1(9Z)/0:0)

67842800.00

65387000.00

PGD1 [9α,15S-dihydroxy-11-oxo-prost-13E-en-1-oic acid]

568292.00

464348.00

PGD2 [9α,15S-dihydroxy-11-oxo-prosta-5Z,13E-dien-1-oic acid...

1467740.00

1797020.00

PGE1 [9-oxo-11α,15S-dihydroxy-prost-13E-en-1-oic acid]

1694740.00

1438380.00

PGE2 [9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid...

5703900.00

5426680.00

PGF1α [9α,11α,15S-trihydroxy-prost-13E-en-1-oic acid]

41979.00

35392.80

PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien-1-oic aci...

588246.00

516010.00

PGJ2 [11-oxo-15S-hydroxy-prosta-5Z,9,13E-trien-1-oic acid]

1004646.00

1264100.00

PGK1 [9,11-dioxo-15S-hydroxy-prost-13E-en-1-oic acid]

6338.96

5851.28

PHENYL-BETA-D-GLUCOPYRANOSIDE

279088.00

244766.00

Phenyllactate (Pla)

24125.40

12010.56

Phenylpyruvate

1811760.00

1662740.00

Phenylpyruvic Acid

750602.00

672698.00

Phe-Phe

4814.16

3245.62

P–Hydroxyphenyl Acetic Acid

473358.00

263750.00

Pimelic acid

210444.00

190474.00

Porphobilinogen

63509.20

44629.20

Propylparaben

13585.60

12693.20

Pyridoxal 5^-Phosphate

51287.00

37228.00

Pyrophosphate

5579860.00

4847440.00

Pyrrole-2-Carboxylic Acid

15058.22

12113.52

Pyrroloquinoline Quinone

628052.00

582120.00

Ribitol

25136.60

34839.00

Ribulose-5-Phosphate

7306160.00

7270160.00

RICINOLEIC ACID

263558.00

258928.00

RvD5 [7S,17S-dihydroxy-4Z,8E,10Z,13Z,15E,19Z-docosahexaenoic...

4702.88

3762.72

(S)-(-)-2-Hydroxyisocaproic Acid

261972.00

273914.00

S-(5-Adenosy)-L-Homocysteine

1050470.00

582162.00

Salicylic acid

1114524.00

1260700.00

Salicyluric acid

4169.68

6803.06

Sarcosine

29588.40

29162.80

Scyllo inositol

1870040.00

1357800.00

Shikimic Acid

17765980.00

23476040.00

Sorbic acid

243838.00

230642.00

S-Sulfo-L-Cysteine

36176.40

39583.36

Succinic Acid

82855.40

80102.60

Succinic anhydride

4803660.00

4684080.00

Sulfacetamide

399566.00

346678.00

Taurochenodesoxycholic Acid

32370.00

414121.60

Taurocholic Acid

340938.00

3242086.00

Tauroursodeoxycholic Acid

27988.60

399116.60

Terephthalic Acid

138134.00

121704.00

Tetradecanedioic acid

252202.00

219480.00

Thiamine Triphosphate

19662.20

20350.60

Tiglic acid

4872860.00

4673260.00

Trans-4-Hydroxy-L-Proline

989030.00

977048.00

Trans,Trans-Muconic Acid

17694000.00

17247600.00

Tridecanoic Acid

5141.04

4435.48

TRP-GLU

51808.40

42890.00

Tryptamine

249582.00

241138.00

TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-oic acid]

744372.00

497252.00

TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic ac...

7844.48

5293.28

Tyramine

6486.74

6374.84

UDP-glucose

3382640.00

5040260.00

Uracil

234384.00

233598.00

Ureidoisobutyric Acid

8093.42

8949.86

Uridine

4811580.00

5479500.00

Uridine 5’-Diphosphate

7658.04

10874.46

Uridine 5^-Diphospho-N-Acetylgalactosamine

267580.00

340690.00

Uridine 5-Monophosphate

2831660.00

2761740.00

Ursodeoxycholic Acid

36674.14

76017.40

Vanillic Acid

31018.20

33403.00

Vanillin

38848.00

36967.00

Vanillylmandelic acid

8582.30

7838.72

Xanthosine

4368200.00

3046240.00

Α-Hydroxyisobutyric Acid

173788.00

132444.00

Α-Linolenic Acid(C18:3N3)

96672.60

63053.40

Β-Hydroxypyruvic Acid

4008560.00

3642940.00

Γ-Glutamate-Cysteine

44509.60

62104.00

γ-Linolenic Acid(C18:3N6)

97647.80

72730.40

Data for ST003028

Factors:

F1	Treatment:AOM/DSS
F2	Treatment:AOM/DSS and chronic restraint stress