Metabolite_name RefMet_name 1 25 27 29 31 26 28 30 32 Factors - Tissue Type:ICC (Intrahepatic cholangiocarcinoma) Tissue Type:ICC (Intrahepatic cholangiocarcinoma) Tissue Type:ICC (Intrahepatic cholangiocarcinoma) Tissue Type:ICC (Intrahepatic cholangiocarcinoma) Tissue Type:ICC (Intrahepatic cholangiocarcinoma) Tissue Type:ICC-NT (surrounded non tumor of ICC) Tissue Type:ICC-NT (surrounded non tumor of ICC) Tissue Type:ICC-NT (surrounded non tumor of ICC) Tissue Type:ICC-NT (surrounded non tumor of ICC) 1-(5^-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole(-9.33)/ 0.0002 0 0.0001 0 0 0 0 1-Aminocyclopentanecarboxylate(2.94)/ N4-Acetylaminobutanal(2.94)/ Vigabatrin(2.94)/ (+)-TACP(2.94)/ 0.0006 0.0007 0.0010 0.0012 0.0014 0.0009 0.0009 0.0015 ?1-Methyl-2-pyrrolidone N-Methylpyrrolidin-2-one 0.0014 0.0027 0.0054 0.0028 0.0018 0.0053 1-Methyl-4-imidazoleacetic acid Methylimidazoleacetic acid 0.0003 0.0003 0.0002 0.0004 0.0001 0.0004 1-Methyladenosine 1-Methyladenosine 0.0002 0.0001 0.0006 0.0003 0.0002 0.0002 0.0002 0.0003 0.0002 1-Methylhistamine 1-Methylhistamine 0.0005 0.0001 0.0007 0 0.0003 0.0002 0.0002 0.0001 0.0001 1-Methylhistidine 1-Methylhistidine 0.0049 0.0030 0.0013 0.0011 0.0014 0.0051 0.0016 0.0009 0.0019 1-Methylnicotinamide 1-Methyl nicotinamide 0.0077 0.0042 0.0053 0.0048 0.0111 0.0036 0.0052 0.0033 0.0020 2-Aminoadipic acid alpha-Aminoadipic acid 0.0014 0.0021 0.0019 0.0006 0.0019 0.0048 0.0015 0.0014 0.0008 2-Aminobutyric acid 2-Aminobutyric acid 0.0321 0.0210 0.0105 0.0094 0.0157 0.0348 0.0229 0.0167 0.0321 2-Methylserine 2-Methylserine 0.0001 0.0001 0.0001 0.0001 2-Phenylethylamine Phenylethylamine 0.0004 3-Aminoisobutyric acid 3-Aminoisobutanoic acid 0.0071 0.0130 0.0018 0.0008 0.0045 0.0178 0.0082 0.0066 0.0101 4-Aminobenzoate(2.48)/ 4-Nitrotoluene(2.48)/ 0.0003 0.0005 0.0002 0.0008 0.0007 0.0005 5;6-Dihydrothymine(2.49)/ gamma-Amino-gamma-cyanobutanoate(2.49)/ alpha-Amino-gamma-cyanobutanoate(2.49)/ 0.0005 0.0001 0.0008 0.0007 0.0003 5;6-Dihydrothymine(2.73)/ gamma-Amino-gamma-cyanobutanoate(2.73)/ alpha-Amino-gamma-cyanobutanoate(2.73)/ 0.0015 0.0064 0.0007 0.0004 0.0096 0.0047 0.0015 0.0059 5-Aminovaleric acid 5-Aminopentanoic acid 0.0006 0.0007 0.0004 0.0012 0.0003 0.0004 0.0006 5^-Deoxy-5^-methylthioadenosine 5'-Methylthioadenosine 0.0001 0.0001 0.0001 0 0.0002 0 0.0001 5-Hydroxylysine 5-Hydroxylysine 0.0004 0.0002 0.0008 0.0004 0.0009 0.0002 0.0002 0.0003 0.0001 Acetylcysteine(-2.02)/ N-Acetylcysteine 0.0005 0.0008 0.0010 0.0003 0.0007 0.0005 0.0008 0.0009 Acetylcysteine(4.29)/ N-Acetylcysteine 0.0003 0.0004 0.0002 0.0004 0.0002 0.0009 Adenine Adenine 0.0007 0.0012 0.0012 0.0002 0.0020 0.0017 0.0012 0.0006 0.0006 Adenosine Adenosine 0.0323 0.0227 0.0056 0.0096 0.0161 0.0361 0.0504 0.0093 0.0280 ADMA Dimethylarginine 0.0004 0.0002 0.0015 0.0002 0.0008 0.0002 0.0002 0.0002 0.0003 Ala Alanine 0.0098 0.0092 0.0068 0.0040 0.0104 0.0148 0.0148 0.0106 0.0153 Ala-Ala Ala-Ala 0.0051 0.0023 0.0014 0.0044 0.0048 0.0036 0.0026 0.0035 0.0028 Ala-Arg/Arg-Ala 0.0005 0.0002 0.0003 0.0002 0.0006 0.0004 0.0003 Ala-Asn/Asn-Ala/Gly-Gln 0.0006 0.0004 0.0002 0.0002 0.0007 0.0004 0.0004 0.0005 Ala-Asp/Asp-Ala 0.0006 0.0002 0.0004 0.0003 0.0013 0.0003 0.0003 0.0005 0.0002 Ala-Gly/Gly-Ala 0.0018 0.0007 0.0013 0.0012 0.0035 0.0009 0.0011 0.0020 0.0008 Ala-Met Ala-Met 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 Ala-Ser/Thr-Gly 0.0025 0.0016 0.0012 0.0056 0.0036 0.0024 0.0017 0.0028 0.0018 Ala-Thr/Thr-Ala 0.0018 0.0020 0.0011 0.0010 0.0024 0.0038 0.0022 0.0021 0.0025 Ala-Tyr/Phe-Ser/Tyr-Ala 0.0016 0.0014 0.0016 0.0008 0.0024 0.0018 0.0018 0.0026 0.0013 Anthranilic acid 2-Aminobenzoic acid 0.0001 Arg Arginine 0.0074 0.0027 0.0658 0.0337 0.0652 0.0017 0.0023 0.0044 0.0014 Arg-Asn/Asn-Arg 0.0003 0.0001 0.0001 0.0001 0.0006 0.0002 0.0002 0.0002 0.0001 Arg-Gln Arg-Gln 0.0002 0.0001 0.0001 0.0001 0.0002 0.0001 0.0002 Arg-Glu/Glu-Arg 0.0002 0.0002 0.0001 0.0001 0.0007 0.0003 0.0002 0.0002 0.0002 Arg-Gly/Gly-Arg 0.0004 0.0004 0.0002 0.0002 0.0008 0.0005 0.0005 0.0005 Arg-Ile/Arg-Leu/Leu-Arg 0.0006 0.0005 0.0004 0.0003 0.0012 0.0009 0.0006 0.0005 0.0006 Argininosuccinic acid Argininosuccinic acid 0.0003 0.0002 0.0002 0.0001 0.0003 0.0003 0.0002 0.0001 0.0004 Arg-Ser/Ser-Arg 0.0010 0.0004 0.0003 0.0003 0.0013 0.0007 0.0006 0.0006 0.0006 Arg-Thr Arg-Thr 0.0005 0.0003 0.0002 0.0004 0.0006 0.0005 0.0003 0.0005 0.0004 Arg-Tyr/Tyr-Arg 0.0008 0.0006 0.0006 0.0004 0.0007 0.0013 0.0011 0.0020 0.0009 Arg-Val Arg-Val 0.0001 0.0001 0.0001 0.0001 0.0004 0.0002 0.0001 0.0002 0.0001 Asn Asparagine 0.0361 0.0347 0.0398 0.0155 0.0408 0.0554 0.0406 0.0315 0.0367 Asn-Glu Asn-Glu 0.0001 0.0001 0 0 0.0003 0.0001 0.0001 0.0001 0.0001 Asn-Ile/Asn-Leu/Ile-Asn/Leu-Asn/Val-Gln 0.0022 0.0008 0.0010 0.0023 0.0035 0.0013 0.0012 0.0012 0.0009 Asn-Lys/Lys-Asn 0.0002 0.0001 0.0002 0 0.0001 0.0001 0.0001 0.0002 Asn-Thr/Ser-Gln/Thr-Asn 0.0015 0.0019 0.0005 0.0014 0.0022 0.0033 0.0016 0.0016 0.0026 Asn-Val/Val-Asn 0.0005 0.0003 0.0002 0.0002 0.0009 0.0004 0.0004 0.0004 0.0003 Asp Aspartic acid 0.0856 0.0597 0.1005 0.0123 0.1782 0.0964 0.0896 0.0417 0.1069 Asp-Lys Asp-Lys 0.0003 0.0002 0.0003 0.0001 0.0010 0.0003 0.0002 0.0003 0.0001 Betaine Betaine 0.0049 0.0058 0.0027 0.0023 0.0046 0.0084 0.0077 0.0048 0.0063 Betaine aldehyde_+H2O Betaine aldehyde 0.0008 0.0004 0.0004 0.0001 0.0005 0.0016 0.0010 0.0013 ?-Butyrobetaine 3-Dehydroxycarnitine 0.0093 0.0042 0.0059 0.0058 0.0052 0.0062 0.0087 0.0031 0.0028 Carnitine Carnitine 0.0089 0.0119 0.0038 0.0058 0.0050 0.0180 0.0156 0.0059 0.0123 Carnosine Carnosine 0.0016 0.0001 0.0005 0.0028 0.0001 0.0001 0.0001 0.0001 Choline Choline 0.0072 0.0043 0.0069 0.0036 0.0110 0.0065 0.0125 0.0139 0.0106 Citrulline Citrulline 0.0054 0.0020 0.0186 0.0033 0.0062 0.0032 0.0025 0.0032 0.0053 Creatine Creatine 0.0130 0.0195 0.0074 0.0082 0.0074 0.0312 0.0139 0.0057 0.0189 Creatinine Creatinine 0.0125 0.0110 0.0158 0.0109 0.0150 0.0167 0.0146 0.0096 0.0109 Cys Cysteine 0.0034 0.0124 0.0031 0.0226 0.0131 0.0175 0.0367 0.0416 Cystathionine Cystathionine 0.0028 0.0037 0.0007 0.0010 0.0056 0.0038 0.0025 0.0071 Cysteine glutathione disulfide S-Glutathionyl-cysteine 0.0148 0.0021 0.0082 0.0065 0.0118 0.0037 0.0033 0.0073 0.0122 Cystine Cystine 0.0026 0.0001 0.0006 0.0016 0.0070 0.0001 0.0002 0.0016 0.0008 Cytidine Cytidine 0.0018 0.0007 0.0017 0.0010 0.0027 0.0011 0.0008 0.0007 0.0011 Cytosine Cytosine 0.0001 0.0001 0.0002 0 0.0001 0.0001 0.0001 0.0001 Deoxyguanosine(6.88)/ Neuraminic acid(1.64)/ Zidovudine(6.88)/ Miserotoxin(1.64)/ Deoxyguanosine 0.0005 0.0001 0.0004 0.0004 0.0005 0.0001 0.0002 0.0002 0.0002 Dyphylline Dyphylline 0.0035 0.0078 0.0024 0.0006 0.0313 0.0061 0.0092 0.0104 0.0061 Ephedrine(-0.54)/ (+)-Pseudoephedrine(-0.54)/ Hordenine(-0.54)/ Anatoxin a(-0.54)/ 0.0018 0.0005 0.0003 0.0005 0.0009 Ephedrine(6.84)/ (+)-Pseudoephedrine(6.84)/ Hordenine(6.84)/ Anatoxin a(6.84)/ 0.0002 0.0002 0.0002 0.0001 0.0003 0.0002 0.0002 0.0001 Ergothioneine Ergothioneine 0.0016 0.0145 0.0068 0.0093 0.0107 0.0284 0.0067 0.0206 0.0131 Ethanolamine Ethanolamine 0.0344 0.0157 0.0367 0.0243 0.0764 0.0182 0.0306 0.0418 0.0423 GABA gamma-Aminobutyric acid 0.0021 0.0066 0.0052 0.0023 0.0032 0.0060 0.0012 0.0043 0.0031 Gln Glutamine 0.0125 0.0149 0.0065 0.0061 0.0165 0.0229 0.0135 0.0119 0.0150 Gln-Thr/Thr-Gln 0.0003 0.0002 0.0002 0.0004 0.0003 0.0002 0.0003 0.0002 Glu Glutamic acid 0.0326 0.0125 0.0250 0.0077 0.0394 0.0172 0.0178 0.0178 0.0166 Gluconolactone Gluconolactone 0.0008 0.0026 0.0004 0.0003 0.0033 0.0010 0.0014 0.0016 Glucosamine Glucosamine 0.0002 0.0005 0.0004 0.0003 0.0003 ?-Glu-Cys Glu-Cys 0.0002 0.0045 0.0006 0.0009 0.0069 0.0053 0.0022 0.0027 Glu-Glu Glu-Glu 0.0002 0.0001 0.0002 0.0001 0.0010 0.0001 0.0001 0.0001 0.0001 Glu-Ile/Glu-Leu/Ile-Glu/Leu-Glu 0.0018 0.0011 0.0014 0.0016 0.0049 0.0015 0.0014 0.0017 0.0010 Glu-Lys/Lys-Glu 0.0005 0.0003 0.0005 0.0005 0.0030 0.0005 0.0004 0.0004 0.0003 Glu-Ser Glu-Ser 0.0012 0.0010 0.0011 0.0011 0.0034 0.0011 0.0012 0.0012 0.0006 Glutathione (GSH) Glutathione 0.0014 0.0371 0.0030 0.0198 0.0478 0.0445 0.0147 0.0325 Glutathione (GSSG)_divalent Oxidized glutathione 0.1183 0.0784 0.0927 0.0349 0.0117 0.1590 0.0966 0.0423 0.1139 Glu-Tyr/Tyr-Glu 0.0003 0.0002 0.0002 0.0001 0.0007 0.0003 0.0003 0.0003 0.0002 Gly Glycine 0.0044 0.0031 0.0038 0.0020 0.0053 0.0042 0.0040 0.0041 0.0041 Gly-Asn Gly-Asn 0.0004 0.0002 0.0001 0.0001 0.0007 0.0003 0.0002 0.0002 0.0002 Glycerophosphocholine sn-Glycero-3-phosphocholine 0.1439 0.3981 0.0977 0.0069 0.0604 0.4468 0.4715 0.1753 0.4346 Gly-Gly Gly-Gly 0.0010 0.0008 0.0013 0.0008 0.0017 0.0010 0.0009 0.0010 0.0008 Gly-His/His-Gly 0.0002 0.0002 0.0003 0.0001 0.0003 0.0002 0.0003 0.0002 Gly-Ile/Gly-Leu 0.0151 0.0066 0.0108 0.0488 0.0172 0.0096 0.0094 0.0282 0.0066 Gly-Lys/Lys-Gly 0.0021 0.0010 0.0013 0.0006 0.0027 0.0017 0.0016 0.0016 0.0015 Gly-Met/Met-Gly 0.0004 0.0003 0.0003 0.0002 0.0006 0.0005 0.0004 0.0003 0.0003 Gly-Val Gly-Val 0.0004 0.0002 0.0003 0.0003 0.0016 0.0003 0.0002 0.0003 0.0002 Guanidinosuccinic acid Guanidinosuccinic acid 0.0008 0.0093 0.0004 0 0.0006 0.0183 0.0045 0.0009 0.0110 Guanidoacetic acid Guanidoacetic acid 0.0011 0.0010 0.0094 0.0250 0.0017 0.0013 0.0005 0.0007 0.0015 Guanine Guanine 0.0004 0.0002 0.0030 0.0001 0.0017 0.0003 0.0003 0.0002 0.0003 Guanosine Guanosine 0.0068 0.0013 0.0040 0.0024 0.0041 0.0018 0.0034 0.0016 0.0019 His Histidine 0.0038 0.0051 0.0033 0.0019 0.0054 0.0081 0.0053 0.0036 0.0060 Histamine Histamine 0.0095 0.0034 0.0393 0.0034 0.0430 0.0022 0.0088 0.0027 0.0028 His-Thr/Thr-His 0.0003 0.0005 0.0002 0.0001 0.0007 0.0005 0.0003 0.0006 Homoserine Homoserine 0.0002 0.0002 0.0001 Homoserinelactone Homoserine lactone 0.0002 0.0005 0.0002 0.0001 0.0008 0.0002 0.0001 0.0002 Homospermidine(3.14)/ Aminopropylcadaverine(3.14)/ 0.0001 0.0012 0.0001 0 0.0007 0.0009 0.0007 0.0020 0.0010 Hydroxyproline Hydroxyproline 0.0078 0.0013 0.0042 0.0052 0.0049 0.0028 0.0030 0.0016 0.0037 Hypotaurine Hypotaurine 0.0120 0.0044 0.0117 0.0043 0.0064 0.0056 0.0052 0.0024 0.0033 Hypoxanthine Hypoxanthine 0.0471 0.0269 0.0965 0.0485 0.0528 0.0162 0.0230 0.0412 0.0318 Ile Isoleucine 0.0042 0.0040 0.0074 0.0043 0.0109 0.0051 0.0035 0.0044 0.0028 Ile-Ala Ile-Ala 0.0003 0.0003 0.0005 0.0004 0.0005 0.0003 0.0002 0.0005 Ile-Arg_divalent Ile-Arg 0.0014 0.0008 0.0008 0.0008 0.0019 0.0015 0.0011 0.0013 0.0011 Ile-Asp/Leu-Asp 0.0005 0.0003 0.0004 0.0003 0.0023 0.0002 0.0004 0.0005 0.0001 Ile-Gln/Leu-Gln 0.0016 0.0009 0.0010 0.0019 0.0028 0.0015 0.0011 0.0014 0.0011 Ile-Lys/Lys-Ile/Lys-Leu/Leu-Lys 0.0015 0.0016 0.0010 0.0010 0.0030 0.0026 0.0019 0.0018 0.0016 Ile-Ser/Ser-Ile/Ser-Leu/Thr-Val/Val-Thr 0.0070 0.0056 0.0041 0.0043 0.0118 0.0093 0.0068 0.0073 0.0067 Ile-Thr/Thr-Ile/Thr-Leu 0.0028 0.0019 0.0031 0.0032 0.0063 0.0023 0.0021 0.0030 0.0014 Ile-Val Ile-Val 0.0080 0.0125 0.0109 0.0049 0.0090 0.0200 0.0101 0.0213 0.0146 Imidazolelactic acid Imidazolelactic acid 0.0001 0.0001 0 0.0001 0.0002 0.0001 0.0001 Inosine Inosine 0.0540 0.0269 0.0148 0.0075 0.0228 0.0232 0.0506 0.0172 0.0287 Isobutyrylcarnitine/Butyrylcarnitine CAR 4:0 0.0038 0.0056 0.0048 0.0094 0.0047 0.0074 0.0086 0.0048 0.0117 Isovalerylcarnitine CAR 4:0;3Me 0.0010 0.0015 0.0008 0.0005 0.0017 0.0011 0.0008 0.0076 Kynurenine Kynurenine 0.0019 0.0005 0.0027 0.0005 0.0032 0.0005 0.0009 0.0008 0.0008 Leu Leucine 0.0114 0.0089 0.0171 0.0089 0.0222 0.0119 0.0090 0.0110 0.0076 Leu-Ala Leu-Ala 0.0086 0.0042 0.0063 0.0173 0.0151 0.0062 0.0054 0.0102 0.0033 Leu-His Leu-His 0.0004 0.0004 0.0003 0.0002 0.0007 0.0005 0.0004 0.0005 0.0003 Leu-Ile/Leu-Leu 0.0031 0.0033 0.0037 0.0031 0.0060 0.0044 0.0034 0.0041 0.0033 Leu-Phe Leu-Phe 0.0019 0.0036 0.0012 0.0009 0.0058 0.0026 0.0036 0.0034 Lidocaine Lidocaine 0.0027 0.0012 0.0019 0.0052 0.0062 0.0014 0.0010 0.0019 0.0009 L-Norleucine(4.42)/ 6-Aminohexanoate(4.42)/ (3R)-beta-Leucine(4.42)/ beta-Alaninebetaine(4.42)/ N;N-Diethylglycine(4.42)/ 0.0005 0.0037 0.0004 0.0009 0.0053 0.0027 0.0132 0.0027 L-Norleucine(5.11)/ 6-Aminohexanoate(5.11)/ (3R)-beta-Leucine(5.11)/ beta-Alaninebetaine(5.11)/ N;N-Diethylglycine(5.11)/ 0.0021 0.0039 0.0003 0.0006 0.0057 0.0007 0.0026 0.0066 Lys Lysine 0.0045 0.0034 0.0089 0.0033 0.0082 0.0050 0.0050 0.0052 0.0048 Lys-Ala Lys-Ala 0.0011 0.0010 0.0005 0.0004 0.0018 0.0018 0.0012 0.0016 0.0014 Lys-Gln Lys-Gln 0.0005 0.0002 0.0002 0.0002 0.0008 0.0004 0.0003 0.0003 0.0004 Lys-Phe/Phe-Lys 0.0004 0.0005 0.0003 0.0002 0.0008 0.0007 0.0004 0.0005 0.0005 Lys-Ser/Ser-Lys 0.0022 0.0014 0.0013 0.0009 0.0028 0.0027 0.0020 0.0026 0.0022 Lys-Tyr/Tyr-Lys 0.0007 0.0003 0.0004 0.0003 0.0010 0.0005 0.0004 0.0006 0.0003 Lys-Val Lys-Val 0.0008 0.0005 0.0004 0.0004 0.0011 0.0009 0.0007 0.0009 0.0005 Malonylcarnitine CAR DC3:0 0.0001 0.0002 0 0.0003 0.0001 0.0001 0.0002 Met Methionine 0.0142 0.0065 0.0391 0.0160 0.0295 0.0087 0.0079 0.0140 0.0069 Met-Gln Met-Gln 0.0002 0.0003 0.0002 0.0001 0.0002 0.0006 0.0003 0.0003 0.0004 Methionine sulfoxide Methionine sulfoxide 0.0006 0.0003 0.0010 0.0006 0.0026 0.0005 0.0003 0.0005 0.0002 Methyldopa anhydrous(-3.07)/ Enicoflavine(-3.07)/ 0.0001 0.0002 0.0001 0 Metronidazole Metronidazole 0.0001 0.0001 0.0003 0.0001 0.0002 Met-Thr Met-Thr 0.0001 0.0001 0.0002 0.0002 N1-Methyl-4-pyridone-5-carboxamide N1-Methyl-4-pyridone-3-carboxamide 0.0004 0.0003 0.0001 0.0008 0.0007 0.0007 0.0014 N5-Ethylglutamine N(5)-Ethyl-glutamine 0.0002 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 N6-Acetyllysine N6-Acetyllysine 0.0002 0.0007 0.0001 0.0003 0.0002 0.0001 N6-Methyllysine N(6)-Methyllysine 0.0008 0.0034 0.0006 0.0003 0.0005 0.0058 0.0006 0.0004 0.0005 N8-Acetylspermidine N8-Acetylspermidine 0.0097 0.0020 0.0060 0.0033 0.0071 0.0030 0.0039 0.0031 0.0041 N-Acetylgalactosamine N-Acetylgalactosamine 0.0010 0.0012 0.0059 0.0038 0.0058 0.0013 0.0014 0.0042 0.0012 N-Acetylhistidine N-Acetylhistidine 0.0001 0.0001 0.0001 0.0001 0.0002 N-Acetyl-L-citrulline(1.98)/ N-Acetylcitrulline 0.0007 0.0010 0.0003 0.0004 0.0011 0.0015 0.0009 0.0010 0.0011 N-(Acetyloxy)benzenamine(5.75)/ N-Methylanthranilate(5.75) N-(Acetyloxy)benzenamine 0.0001 0.0002 0.0001 0.0001 N-Ethylglycine N-Ethylglycine 0.0004 0.0009 0.0001 0.0013 0.0003 0.0009 0.0017 Nicotinamide Niacinamide 0.0350 0.0366 0.0302 0.0070 0.0373 0.0470 0.0442 0.0452 0.0477 NMN Nicotinamide ribotide 0.0002 0.0003 0 0.0002 0.0005 0.0004 0.0003 0.0004 N;N-Dimethylglycine Dimethylglycine 0.0036 0.0044 0.0009 0.0009 0.0027 0.0057 0.0046 0.0026 0.0088 Noradrenaline Xi-Norepinephrine 0.0012 0.0001 0.0019 0.0008 0.0004 0.0006 O-Acetylcarnitine CAR 2:0 0.0572 0.0197 0.0356 0.0711 0.0539 0.0220 0.0315 0.0371 0.0406 Octanoylcarnitine CAR 8:0 0.0004 0.0002 0.0002 0.0004 0.0003 0.0002 0.0002 0.0004 Ophthalmic acid Ophthalmic acid 0.0135 0.0135 0.0011 0.0007 0.0018 0.0185 0.0089 0.0048 0.0117 Ornithine Ornithine 0.0474 0.0313 0.0261 0.0114 0.0320 0.0385 0.0558 0.0549 0.0259 Pantetheine 4^-phosphate(-1.53)/ Pantetheine 4'-phosphate 0.0002 0.0002 0.0001 0 0.0003 0.0003 0.0001 0.0003 Phe Phenylalanine 0.0644 0.0524 0.1127 0.0516 0.1019 0.0834 0.0427 0.0540 0.0524 Phe-Arg_divalent Phe-Arg 0.0003 0.0003 0.0001 0.0001 0.0003 0.0006 0.0002 0.0003 0.0004 Phe-Asn Phe-Asn 0.0007 0.0006 0.0015 0.0007 0.0012 0.0009 0.0010 0.0012 0.0007 Phe-Gln Phe-Gln 0.0007 0.0010 0.0004 0.0005 0.0010 0.0016 0.0010 0.0012 0.0010 Phe-Thr Phe-Thr 0.0014 0.0039 0.0010 0.0006 0.0013 0.0044 0.0024 0.0029 0.0026 Phe-Val Phe-Val 0.0007 0.0010 0.0006 0.0005 0.0011 0.0013 0.0009 0.0009 0.0008 Phosphorylcholine Choline phosphate 0.1110 0.0769 0.1661 0.0910 0.0409 0.1171 0.0786 0.0613 0.0882 Pipecolic acid Pipecolic acid 0.0013 0.0008 0.0004 0.0005 0.0017 0.0021 0.0011 0.0023 Prenyl-L-cysteine(6.29)/ 0.0002 0.0003 0.0002 0.0001 0.0002 0.0001 Pro Proline 0.0168 0.0038 0.0073 0.0054 0.0119 0.0062 0.0057 0.0049 0.0056 Pro-Ala Pro-Ala 0.0002 0.0003 0.0002 0.0004 0.0002 0.0003 Pro-Arg_divalent Pro-Arg 0.0001 0.0001 0.0001 0 0.0002 0.0002 0.0001 0.0002 0.0001 Pro-Ser Pro-Ser 0.0002 0.0004 0.0002 0.0003 0.0002 Pro-Val Pro-Val 0.0004 0.0004 0.0005 0.0006 0.0005 0.0003 Putrescine Putrescine 0.0095 0.0057 0.0034 0.0020 0.0059 0.0076 0.0089 0.0045 0.0079 Pyridoxamine 5^-phosphate Pyridoxamine 5'-phosphate 0.0006 0.0018 0.0002 0 0.0025 0.0021 0.0017 0.0023 (R)-1-Aminopropan-2-ol(-4.26)/ 1-Aminopropan-2-ol(-4.26)/ 0.0003 0.0007 0.0003 0.0002 0.0009 0.0006 0.0004 0.0007 0.0009 Ranitidine Ranitidine 0.0007 0.0001 Saccharopine Saccharopine 0.0003 0.0004 0.0001 0 0.0007 0.0002 0.0002 0.0002 S-Adenosylhomocysteine S-Adenosylhomocysteine 0.0010 0.0017 0.0005 0.0001 0.0004 0.0021 0.0014 0.0006 0.0027 S-Adenosylmethionine S-Adenosylmethionine 0.0011 0.0025 0.0011 0.0005 0.0016 0.0048 0.0012 0.0004 0.0011 Sarcosine Sarcosine 0.0023 0.0032 0.0008 0.0006 0.0019 0.0050 0.0047 0.0022 0.0050 SDMA Symmetric dimethylarginine 0.0004 0.0007 0.0005 0.0002 0.0012 0.0005 0.0003 0.0009 Ser Serine 0.0697 0.0311 0.0911 0.0286 0.0849 0.0698 0.0630 0.0309 0.0877 Ser-Asn Ser-Asn 0.0007 0.0003 0.0002 0.0003 0.0009 0.0005 0.0004 0.0005 0.0004 Ser-Gly/Gly-Ser 0.0012 0.0010 0.0008 0.0006 0.0017 0.0013 0.0010 0.0013 0.0009 Ser-His Ser-His 0.0004 0.0002 0.0003 0.0002 0.0008 0.0004 0.0003 0.0004 0.0003 Ser-Ser Ser-Ser 0.0011 0.0010 0.0006 0.0007 0.0016 0.0015 0.0012 0.0011 0.0010 Ser-Thr Ser-Thr 0.0015 0.0010 0.0008 0.0008 0.0024 0.0015 0.0013 0.0014 0.0012 S-Methylglutathione S-Methylglutathione 0.0019 0.0041 0.0003 0 0.0006 0.0080 0.0058 0.0011 0.0046 Spermidine Spermidine 0.0033 0.0118 0.0068 0.0008 0.0669 0.0072 0.0075 0.0114 0.0059 Spermine Spermine 0.0001 0.0012 0.0001 0.0001 0.0222 0.0010 0.0010 0.0028 0.0011 ß-Ala beta-Alanine 0.0250 0.0330 0.0128 0.0041 0.0154 0.0395 0.0283 0.0296 0.0224 Stachydrine Stachydrine 0.0029 0.0007 0.0023 0.0034 0.0011 0.0037 0.0036 0.0022 Taurine Taurine 0.0687 0.0156 0.0615 0.0629 0.2823 0.0141 0.0363 0.0335 0.0132 Thiamine Thiamine 0.0001 0.0003 0.0001 0 0.0002 0.0003 0.0002 0.0002 0.0002 Thiaproline 0.0251 0.0203 0.0093 0.0034 0.0107 0.0086 0.0119 0.0187 Thr Threonine 0.0991 0.0618 0.1051 0.0677 0.0962 0.0910 0.0591 0.0673 0.0638 Thr-Asp/Asp-Thr/Ser-Glu 0.0003 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 Thr-Glu Thr-Glu 0.0003 0.0003 0.0003 0.0002 0.0010 0.0004 0.0003 0.0003 0.0003 Thr-Lys Thr-Lys 0.0011 0.0005 0.0006 0.0004 0.0018 0.0007 0.0006 0.0007 0.0006 Thr-Thr Thr-Thr 0.0005 0.0003 0.0003 0.0004 0.0008 0.0005 0.0005 0.0005 0.0004 Thr-Tyr/Tyr-Thr 0.0006 0.0015 0.0006 0.0003 0.0006 0.0020 0.0010 0.0011 0.0010 Thymidine Thymidine 0.0001 0.0018 0.0003 0.0003 0.0001 Thymine Thymine 0.0124 0.0325 0.0050 0.0021 0.0352 0.0297 0.0181 0.0174 0.0180 trans-Glutaconic acid Glutaconic acid 0.0004 0.0002 0.0006 0.0003 0.0003 0.0004 Trigonelline Trigonelline 0.0002 0.0056 0.0003 0.0001 0.0081 0.0010 0.0001 0.0004 Trimethylamine Trimethylamine 0.0002 0.0017 Trimethylamine N-oxide Trimethylamine N-oxide 0.0014 0.0001 0.0014 0.0020 0.0018 0.0002 0.0008 0.0009 0.0008 Trp Tryptophan 0.0089 0.0091 0.0166 0.0108 0.0146 0.0129 0.0087 0.0106 0.0054 Tyr Tyrosine 0.0306 0.0209 0.0616 0.0280 0.0395 0.0357 0.0211 0.0255 0.0230 Tyramine Tyramine 0.0001 0 0 Tyr-Arg_divalent Tyr-Arg 0.0011 0.0008 0.0007 0.0004 0.0005 0.0017 0.0014 0.0040 0.0011 Tyr-Gln Tyr-Gln 0.0008 0.0007 0.0005 0.0008 0.0015 0.0010 0.0009 0.0010 0.0006 Tyr-Gly Tyr-Gly 0.0004 0.0002 0.0003 0.0002 0.0003 0.0003 0.0004 0.0002 Tyr-His Tyr-His 0.0009 0.0007 0.0005 0.0003 0.0003 0.0017 0.0012 0.0046 0.0015 Uracil Uracil 0.0025 0.0043 0.0084 0.0026 0.0052 0.0037 0.0031 0.0041 0.0043 Urea Urea 0.2571 0.2176 0.2665 0.1826 0.4234 0.3137 0.2695 0.1924 0.2352 Uridine Uridine 0.0066 0.0088 0.0030 0.0009 0.0063 0.0096 0.0065 0.0039 0.0174 Urocanic acid Urocanic acid 0.0005 0.0003 0.0002 0.0001 0.0011 0.0001 0.0001 Val Valine 0.1275 0.1017 0.1842 0.1170 0.2309 0.1370 0.1068 0.1337 0.0846 Val-Arg_divalent Val-Arg 0.0006 0.0003 0.0003 0.0004 0.0011 0.0005 0.0005 0.0006 0.0003 Val-Asp Val-Asp 0.0006 0.0004 0.0006 0.0010 0.0006 0.0006 0.0004 0.0003 Val-Glu Val-Glu 0.0008 0.0003 0.0003 0.0005 0.0010 0.0006 0.0005 0.0005 0.0004 Val-Gly Val-Gly 0.0020 0.0009 0.0009 0.0010 0.0033 0.0018 0.0014 0.0013 0.0013 Val-His Val-His 0.0006 0.0004 0.0006 0.0004 0.0008 0.0007 0.0005 0.0008 0.0004 Val-Lys Val-Lys 0.0007 0.0006 0.0005 0.0002 0.0008 0.0010 0.0007 0.0006 0.0007 Xanthurenic acid(1.8)/ 6-Hydroxykynurenate(1.8)/ 6-Hydroxykynurenic acid(1.8)/ Xanthurenic acid 0.0002 0.0001 0.0016 0.0001 0.0001 0.0001 0.0001 0.0001