Metabolite_name RefMet_name kim_YiPSC_DCA_11 kim_YiPSC_DCA_13 kim_YiPSC_DCA_14 kim_YiPSC_DCA_4 kim_YiPSC_Citr_25 kim_YiPSC_Citr_39 kim_AiPSC_16 kim_AiPSC_19 kim_AiPSC_glut3_gcn3 kim_AiPSC_glut3_gcn4 kim_AiPSC_ZSCAN10_19 kim_AiPSC_ZSCAN10_7 kim_ESC-E kim_ESC-H kim_YiPSC_1-3 kim_YiPSC_1-8 Factors - Treatment:5mM Disodium acetate Treatment:5mM Disodium acetate Treatment:5mM Disodium acetate Treatment:5mM Disodium acetate Treatment:6mM Sodium Citrate Treatment:6mM Sodium Citrate Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated Treatment:Untreated 2^_4^-DIHYDROXYACETOPHENONE 2',4'-Dihydroxyacetophenone 299000 274000 294000 379000 297000 290000 277000 259000 292000 261000 309000 257000 338000 315000 292000 444000 2-Hydroxyphenylalanine 2-Hydroxy-L-Phenylalanine 277000000 337000000 388000000 116000000 257000000 323000000 342000000 439000000 344000000 275000000 506000000 415000000 240000000 332000000 255000000 290000000 3_4-Dimethylbenzoic acid 3,4-Dimethylbenzoic acid 270000 279000 272000 341000 306000 318000 281000 291000 290000 299000 253000 297000 296000 291000 345000 339000 3_5-Di-tert-butylbenzaldehyde 937000 1040000 980000 1050000 1040000 898000 971000 950000 978000 1010000 1030000 996000 1040000 962000 903000 988000 3-UREIDOPROPIONATE Ureidopropionic acid 2230000 1500000 4220000 2940000 6640000 23700000 4610000 5610000 1520000 408000 4750000 1620000 906000 4170000 766000 955000 4-AMINOBUTANOATE (GABA)_R1 gamma-Aminobutyric acid 13000000 73700000 93100000 16200000 5790000 10700000 15300000 21300000 16400000 9610000 25300000 13000000 6600000 19500000 7800000 8550000 4-AMINOBUTANOATE (GABA)_R2 gamma-Aminobutyric acid 7910000 75600000 95700000 3170000 5080000 3760000 15600000 2640000 3450000 9530000 4110000 13200000 4960000 3900000 4980000 5780000 5-AMINOLEVULINIC ACID 5-Amino-levulinic acid 3350000 4080000 4880000 1820000 6220000 8540000 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99400000 65700000 64200000 ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE 21200000 31400000 50700000 8620000 33100000 39200000 14600000 11600000 28100000 880000 74600000 14700000 2690000 16300000 3800000 3350000 Anthranilate 2-Aminobenzoic acid 139000 65400 97900 69400 146000 119000 66300 63700 75700 32700 96400 113000 77900 89100 90700 103000 ANTHRANILATE-Water 135000 145000 94400 108000 148000 119000 81900 89800 110000 74200 88600 143000 85300 100000 116000 118000 ASPARTATE Aspartic acid 37900000 19800000 21100000 17900000 25400000 35800000 19700000 22100000 27000000 16900000 23300000 20800000 18800000 20700000 18900000 18400000 Bis(2-ethylhexyl) phthalate Bis(2-ethylhexyl)phthalate 544000 565000 506000 533000 522000 504000 562000 512000 509000 502000 556000 602000 553000 561000 540000 556000 BOC-D-Phenylalanine 62900000 73400000 67000000 78000000 82400000 76400000 70200000 64300000 74800000 61400000 73100000 70200000 80700000 82300000 74600000 78800000 BOC-L-Tyrosine Tyrosine 74400000 81000000 73900000 89200000 86600000 78000000 73600000 70000000 76900000 69600000 74800000 82300000 86100000 82500000 82300000 85500000 Caffeine-D3 Caffeine 6440000 7000000 6600000 7860000 6630000 6480000 5500000 6760000 6610000 7280000 6410000 6210000 7240000 6490000 7740000 8010000 Camphor Camphor 172000 322000 193000 151000 184000 190000 197000 195000 363000 330000 306000 262000 172000 220000 215000 303000 CARNOSINE Carnosine 10000000 6130000 6150000 9440000 15900000 13000000 6620000 7700000 8000000 6860000 10000000 13900000 12400000 13100000 14500000 13300000 Choline Choline 488000000 490000000 540000000 395000000 504000000 992000000 475000000 562000000 447000000 286000000 568000000 492000000 447000000 807000000 372000000 358000000 CITRATE Citric acid 405000 2210000 2550000 1350000 1710000 2470000 3780000 4750000 3540000 1090000 6130000 930000 1470000 3190000 1070000 1220000 CMP CMP 5820000 13200000 17000000 4410000 11300000 13600000 6260000 5950000 4650000 3240000 10800000 8080000 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7830000 Erucamide 13Z-Docosenamide 1170000 1150000 764000 907000 1030000 1360000 992000 781000 1050000 822000 1050000 829000 927000 744000 799000 811000 GLUCOSAMINE/MANNOSAMINE 684000 3180000 2470000 1450000 783000 1010000 1630000 1560000 2210000 1900000 953000 1480000 1970000 3420000 1750000 1480000 Glutathione Disulfide Oxidized glutathione 24400000 19600000 16400000 437000 11900000 40700000 57900000 60900000 34500000 21800000 62900000 23800000 2750000 2170000 3160000 4800000 Glycerophosphocholine sn-Glycero-3-phosphocholine 433000000 403000000 409000000 308000000 435000000 625000000 408000000 437000000 402000000 324000000 464000000 424000000 279000000 401000000 248000000 287000000 GLYCINE Glycine 2420000 2490000 3040000 1820000 1510000 2840000 2560000 2640000 2740000 1870000 3490000 2240000 2260000 2490000 2090000 1910000 Glycyl-L-leucine Gly-Leu 59100000 26300000 32500000 14800000 65900000 66900000 29000000 39600000 31800000 20300000 64500000 66000000 23500000 35200000 36000000 39600000 GUANINE Guanine 35300000 178000000 207000000 54200000 28000000 33100000 29400000 35500000 28000000 19200000 61300000 41900000 18600000 112000000 31300000 27100000 GUANOSINE Guanosine 19000000 121000000 144000000 31500000 41700000 44500000 26000000 22600000 23800000 14700000 75800000 26100000 12500000 35600000 22300000 14700000 HOMOCYSTEINE Homocysteine 1280000 3230000 5280000 865000 1610000 3250000 4150000 5310000 3580000 3040000 4900000 2690000 800000 2650000 1950000 1150000 HYPOTAURINE Hypotaurine 15200000 8930000 10300000 3900000 10100000 14100000 11200000 12000000 15600000 7100000 9850000 4060000 3840000 6820000 3830000 3280000 HYPOXANTHINE Hypoxanthine 486000000 612000000 741000000 268000000 629000000 956000000 645000000 744000000 608000000 419000000 842000000 567000000 231000000 601000000 245000000 255000000 INOSINE Inosine 72100000 69400000 87200000 29100000 86000000 96800000 56300000 55800000 48300000 33800000 94200000 51900000 13900000 28300000 18300000 17300000 Isobutyrylcarnitine CAR 3:0;2Me 294000 1870000 1920000 660000 330000 716000 2810000 2260000 2390000 1110000 6830000 2090000 635000 1680000 719000 872000 Isocytosine 2-Amino-4-hydroxypyrimidine 33100000 140000000 183000000 53300000 74800000 60700000 130000000 126000000 74200000 89200000 165000000 102000000 48200000 131000000 55200000 58900000 Isovalerylcarnitine CAR 4:0;3Me 3240000 3530000 4180000 675000 3290000 7980000 2690000 2860000 3400000 2360000 4200000 1850000 215000 679000 439000 324000 L-2-PHOSPHOGLYCERIC ACID_R1 2-Phosphoglyceric acid 1490000 82400 357000 333000 1100000 371000 1180000 1100000 343000 1640000 447000 948000 270000 323000 247000 262000 L-2-PHOSPHOGLYCERIC ACID_R2 2-Phosphoglyceric acid 1330000 249000 202000 24100 1110000 268000 1110000 1060000 167000 1570000 447000 896000 46600 4450 181000 253000 L-ARGININE Arginine 504000000 574000000 575000000 332000000 392000000 428000000 548000000 611000000 613000000 503000000 697000000 673000000 592000000 647000000 602000000 595000000 L-ASPARAGINE Asparagine 16000000 17100000 17700000 15000000 11300000 12300000 16900000 19000000 20200000 17200000 20400000 21300000 18600000 22200000 21200000 18200000 L-CARNITINE Carnitine 99800000 57000000 69900000 27800000 65600000 87400000 78500000 76900000 54600000 30900000 108000000 65300000 13400000 29000000 16700000 18400000 L-CYSTEINE Cysteine 43900000 34200000 37100000 44900000 36100000 50000000 23400000 29000000 35900000 247000 42600000 30400000 23900000 45400000 25500000 20200000 LEUCINE Leucine 1200000000 976000000 1090000000 227000000 1020000000 1110000000 1040000000 1210000000 1060000000 839000000 1420000000 1320000000 874000000 1140000000 952000000 477000000 Leu Pro Leu-Pro 120000000 33500000 41600000 38900000 72600000 64100000 46800000 57800000 65800000 29900000 81200000 114000000 42100000 70200000 78300000 95600000 L-GLUTAMINE Glutamine 237000000 254000000 251000000 219000000 219000000 380000000 215000000 269000000 320000000 232000000 461000000 299000000 240000000 368000000 218000000 213000000 L-HISTIDINE Histidine 69800000 81400000 78500000 87400000 69400000 82900000 81500000 84700000 86900000 63600000 86400000 74100000 67300000 80200000 67200000 63200000 LL-2_6-DIAMINOHEPTANEDIOATE 2,6-Diaminopimelic acid 36200000 6290000 9710000 9850000 31400000 18600000 9270000 11000000 11700000 6760000 14900000 19600000 11200000 13800000 14000000 16400000 L-Leucine 13C6 Leucine 4540000 4950000 4850000 7930000 4940000 4020000 4000000 4210000 4280000 5380000 3690000 3730000 5560000 4330000 5070000 4990000 L-Leucine-D10 Leucine 5610000 6750000 6740000 7640000 6190000 5360000 5390000 6330000 5920000 6800000 5340000 5410000 6660000 5780000 6580000 6660000 L-LYSINE Lysine 59700000 4400000 7490000 25500000 34700000 28300000 6420000 8570000 10900000 4640000 11900000 64500000 67200000 68300000 67900000 68600000 L-METHIONINE Methionine 779000000 594000000 756000000 237000000 613000000 737000000 639000000 781000000 618000000 436000000 995000000 884000000 405000000 640000000 528000000 585000000 L-Phenylalanine 13C6 Phenylalanine 7270000 9630000 8630000 13000000 8340000 6820000 7000000 7280000 8060000 9400000 5950000 6550000 10600000 7530000 9080000 8530000 L-PROLINE Proline 410000000 616000000 774000000 191000000 416000000 713000000 615000000 737000000 610000000 391000000 917000000 585000000 362000000 629000000 334000000 400000000 L-SERINE Serine 18400000 19200000 19900000 14700000 12200000 14300000 18700000 20400000 25600000 18200000 21600000 21500000 26200000 24100000 25900000 24000000 L-Tryptophan 13C11 Tryptophan 73900000 95400000 90500000 97900000 75800000 67700000 71800000 85300000 83500000 91500000 78600000 75000000 87600000 79300000 87400000 89100000 L-Tyrosine 13C6 Tyrosine 2890000 3480000 3460000 4060000 3190000 2690000 2680000 3070000 2950000 3510000 2630000 2650000 3660000 2840000 3090000 3410000 L-VALINE/5-AMINOPENTANOATE/L-NORVALINE 843000000 785000000 899000000 354000000 744000000 899000000 794000000 967000000 847000000 618000000 1170000000 1040000000 641000000 881000000 726000000 784000000 LysoPC (16:0) LPC 16:0 2320000 6980000 3500000 1510000 2580000 4090000 1990000 2840000 9880000 16500000 10200000 17500000 1180000 4800000 3090000 9330000 LysoPC (16:1) LPC 16:1 4310000 3230000 2290000 1290000 2200000 1040000 1570000 3050000 6970000 5150000 1850000 8130000 778000 1740000 1560000 2670000 LysoPC (18:0) LPC 18:0 715000 1580000 816000 755000 866000 1350000 404000 451000 2160000 3290000 2280000 3830000 340000 1270000 777000 2460000 LysoPE (18:1)_R1 LPE 18:1 1360000 4740000 3260000 2520000 1530000 2120000 1210000 1710000 3820000 8560000 6180000 10500000 634000 2410000 1090000 2390000 LysoPE (18:1)_R2 LPE 18:1 647000 990000 1220000 684000 844000 1400000 592000 768000 599000 8590000 3000000 10800000 107000 288000 178000 2490000 LysoPE (20:4) LPE 20:4 979000 1570000 1450000 1260000 722000 884000 877000 1270000 1710000 2920000 4700000 5980000 942000 109000 958000 818000 LysoPE (22:4) LPE 22:4 59100 137000 139000 153000 65800 162000 61100 84600 115000 333000 551000 825000 60200 107000 52800 47600 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 3300000 2850000 2420000 4570000 4260000 5100000 3220000 4840000 6810000 5580000 3750000 2980000 10800000 5550000 11200000 9510000 METHYL JASMONATE Methyl jasmonate 219000 237000 198000 250000 204000 213000 164000 208000 216000 225000 239000 184000 221000 258000 185000 199000 Monobutyl phthalate Monobutylphthalate 476000 676000 516000 551000 528000 529000 534000 590000 715000 711000 708000 663000 490000 614000 581000 742000 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 3150000 2330000 2900000 118000 233000 561000 3560000 2840000 992000 674000 2560000 952000 138000 160000 382000 313000 N-ACETYL-L-ALANINE N-Acetylalanine 176000 3610000 3870000 536000 2310000 1970000 3900000 3900000 3180000 2760000 4560000 3050000 1310000 2070000 1750000 1790000 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 6730000 13300000 16800000 2260000 2870000 3240000 5760000 1760000 20000 5260000 139000 56600 326000 493000 7520000 3940000 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 4520000 5520000 5980000 5550000 5030000 6580000 5630000 5720000 4790000 4690000 4440000 3940000 4960000 5070000 3860000 3920000 N-BOC-L-Aspartic Acid Aspartic acid 6230000 6140000 6420000 7930000 6900000 6230000 5040000 6400000 6490000 6210000 6350000 6410000 6560000 6830000 6880000 7420000 N-BOC-L-Tryptophan Tryptophan 18100000 22200000 19200000 23200000 24600000 20400000 17400000 16400000 20100000 16500000 19400000 20000000 29000000 23300000 18300000 20200000 NICOTINAMIDE Niacinamide 273000000 162000000 208000000 60600000 337000000 450000000 187000000 218000000 123000000 91300000 297000000 173000000 34600000 99000000 43800000 46300000 N-METHYL-D-ASPARTIC ACID N-Methyl-D-aspartic acid 592000000 499000000 587000000 341000000 473000000 748000000 394000000 403000000 528000000 269000000 763000000 389000000 195000000 265000000 255000000 238000000 N-Methylnicotinamide N-Methylnicotinamide 5680000 11500000 13700000 1830000 4380000 3130000 10300000 9750000 11000000 7280000 10600000 9630000 4590000 5030000 6570000 8650000 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 7450000 6230000 6760000 3180000 8740000 20800000 10500000 11900000 13300000 7550000 12300000 6820000 4520000 7180000 5380000 5850000 Orthophosphate Phosphoric acid 24900000 9840000 13200000 17600000 20500000 21000000 11300000 10300000 8480000 4780000 7820000 5890000 6400000 3770000 7890000 5960000 Palmitoleic acid Palmitoleic acid 92800 110000 92400 117000 101000 83000 95200 84200 113000 104000 119000 96300 112000 107000 105000 116000 Pantothenic Acid Pantothenic acid 15200000 22700000 27500000 10400000 25100000 19000000 44800000 41300000 19500000 13800000 33300000 15600000 10700000 25300000 7810000 7250000 PEG n5 Pentaethylene glycol 1860000 1090000 1440000 1790000 3590000 3900000 1620000 1290000 1540000 3300000 1600000 1020000 919000 1650000 1990000 1310000 PHENETHYLAMINE Phenylethylamine 3090000 16500000 7780000 7520000 4280000 4000000 7710000 6280000 16200000 18700000 24200000 10800000 11200000 11700000 8290000 29200000 Phenylalanine Phenylalanine 781000000 923000000 1040000000 433000000 804000000 924000000 959000000 1070000000 967000000 752000000 1240000000 1100000000 703000000 923000000 785000000 827000000 Phe-Phe Phe-Phe 22000000 4000000 6210000 6110000 15400000 11500000 2860000 3320000 5730000 2580000 4560000 7990000 5940000 6470000 7090000 7640000 PHOSPHOCHOLINE Choline phosphate 108000000 140000000 132000000 13900000 69900000 28800000 120000000 102000000 87300000 185000000 115000000 122000000 34700000 19200000 90600000 107000000 PHOSPHO(ENOL)PYRUVIC ACID Phosphoenolpyruvic acid 1140000 298000 308000 4820 1400000 429000 1480000 1320000 164000 1530000 617000 972000 88600 240000 136000 235000 PIPECOLATE/L-PIPECOLIC ACID Pipecolic acid 9830000 2840000 5110000 1900000 7220000 4790000 4350000 2980000 3670000 3430000 4090000 6270000 3020000 3690000 4650000 5840000 Proprionylcarnitine CAR DC3:0 2880000 5040000 5590000 1410000 2140000 3430000 7860000 9210000 3390000 1600000 17100000 4710000 756000 1760000 1030000 972000 PYRIDOXAL Pyridoxal 3250000 8970000 8470000 5180000 10300000 19900000 9700000 9680000 9630000 3850000 6600000 3010000 3900000 9340000 2800000 2480000 PYRIDOXAL 5^-PHOSPHATE Pyridoxal 5'-phosphate 388000 220000 261000 19500 334000 185000 263000 372000 181000 324000 299000 236000 52900 44300 137000 119000 PYRIDOXINE Pyridoxine 4020000 4220000 5690000 1280000 4820000 8610000 4620000 5040000 4530000 2870000 8380000 3640000 1240000 3360000 1420000 1610000 SUCCINATE Succinic acid 805000 578000 700000 238000 944000 1150000 650000 615000 586000 320000 818000 514000 119000 364000 140000 169000 Sulcatol (R)-Sulcatol 158000 257000 158000 210000 210000 159000 179000 198000 285000 244000 226000 227000 173000 195000 202000 288000 TAURINE Taurine 15800000 5220000 6060000 5030000 12000000 12900000 7450000 6460000 7050000 4960000 9030000 4780000 2690000 3780000 2460000 1820000 Taurocholic acid (TCA) Taurocholic acid 15000 70700 84100 25500 15600 39000 158000 197000 387000 257000 433000 448000 327000 354000 562000 657000 Tetrahydrothiophene-1-oxide Tetrahydrothiophene-1-oxide 253000 247000 223000 283000 276000 223000 175000 249000 226000 208000 215000 218000 243000 252000 264000 252000 THREONINE/HOMOSERINE Threonine/Homoserine 64200000 95000000 91800000 44500000 57000000 82100000 97200000 127000000 132000000 113000000 154000000 139000000 109000000 159000000 113000000 119000000 THYMINE Thymine 378000 537000 732000 2470000 133000 959000 1900000 2980000 2080000 179000 1570000 710000 362000 2090000 152000 88600 TRANS-CINNAMATE trans-Cinnamic acid 1220000 1160000 1210000 1030000 1390000 1000000 1000000 1120000 1250000 1150000 1080000 1120000 1260000 1240000 1310000 1480000 Triethyl phosphate Triethyl phosphate 518000 1480000 1010000 440000 511000 562000 333000 445000 474000 431000 575000 573000 384000 506000 444000 557000 Tryptophan Tryptophan 208000000 255000000 289000000 88100000 187000000 267000000 264000000 321000000 263000000 188000000 413000000 302000000 143000000 239000000 175000000 191000000 Tryptophan-2_3_3-D3 Tryptophan 34500000 42400000 39200000 45900000 36100000 31300000 32000000 38400000 35900000 41300000 36200000 35700000 38000000 37100000 41200000 41700000 Tryptophan-2_3_3-D3-NH3 Tryptophan 13000000 16400000 15500000 17500000 13800000 12900000 12900000 15900000 14800000 15900000 14700000 14000000 14800000 15000000 16200000 16200000 Tryptophan-NH3 Tryptophan 90100000 99900000 115000000 35900000 80900000 115000000 107000000 136000000 110000000 76700000 179000000 129000000 57700000 103000000 73000000 82600000 URACIL Uracil 110000000 140000000 175000000 74200000 167000000 245000000 132000000 164000000 144000000 69900000 189000000 120000000 54200000 117000000 58800000 57900000 URATE Uric acid 344000 258000 326000 91500 347000 528000 492000 487000 302000 319000 294000 299000 153000 220000 165000 209000 URIDINE Uridine 6000000 15500000 18700000 1170000 5910000 5450000 3040000 3110000 4610000 14600000 12500000 6460000 725000 1130000 1700000 3160000 URIDINE-5-MONOPHOSPHATE UMP 2560000 3840000 6410000 1710000 6690000 4560000 4680000 5600000 3140000 1440000 5790000 4740000 932000 2340000 1540000 1450000