#METABOLOMICS WORKBENCH CUIG2022_20230912_012710 DATATRACK_ID:4307 STUDY_ID:ST002870 ANALYSIS_ID:AN004704 PROJECT_ID:PR001793 VERSION 1 CREATED_ON September 20, 2023, 12:38 am #PROJECT PR:PROJECT_TITLE A carbon-nitrogen negative feedback loop underlies the repeated evolution of PR:PROJECT_TITLE cnidarian-Symbiodiniaceae symbioses across >700 Myr PR:PROJECT_SUMMARY Using nutrient supplementation experiments, we show that the provision of PR:PROJECT_SUMMARY additional carbohydrates significantly reduces symbiont density while ammonium PR:PROJECT_SUMMARY promotes symbiont proliferation. UHPLC-HR-MS analysis confirmed that all hosts PR:PROJECT_SUMMARY co-incorporated glucose-derived 13C and ammonium-derived 15N via GS/GOGAT PR:PROJECT_SUMMARY mediated amino acid biosynthesis. Our results reveal a general carbon-nitrogen PR:PROJECT_SUMMARY negative feedback loop underlying these symbioses and provide a parsimonious PR:PROJECT_SUMMARY explanation for their repeated evolution. PR:INSTITUTE King Abdullah University of Science and Technology PR:LAST_NAME Cui PR:FIRST_NAME Guoxin PR:ADDRESS 4700 KAUST, 23955-6900 Thuwal PR:EMAIL guoxin.cui@kaust.edu.sa PR:PHONE +966544701749 #STUDY ST:STUDY_TITLE A carbon-nitrogen negative feedback loop underlies the repeated evolution of ST:STUDY_TITLE cnidarian-Symbiodiniaceae symbioses across >700 Myr ST:STUDY_SUMMARY Symbiotic associations with Symbiodiniaceae have evolved independently across a ST:STUDY_SUMMARY diverse range of cnidarian taxa including reef-building corals, sea anemones, ST:STUDY_SUMMARY and jellyfish, yet the molecular mechanisms underlying their regulation and ST:STUDY_SUMMARY repeated evolution are still elusive. Here we show that despite their ST:STUDY_SUMMARY independent evolution, cnidarian hosts employ the same carbon-nitrogen negative ST:STUDY_SUMMARY feedback loop to control symbiont proliferation. Symbiont-derived photosynthates ST:STUDY_SUMMARY are used to assimilate nitrogenous waste via GS/GOGAT mediated amino acid ST:STUDY_SUMMARY biosynthesis in a carbon dependent manner, which regulates the availability of ST:STUDY_SUMMARY nitrogen to the symbionts. Using nutrient supplementation experiments, we show ST:STUDY_SUMMARY that the provision of additional carbohydrates significantly reduces symbiont ST:STUDY_SUMMARY density while ammonium promotes symbiont proliferation. UHPLC-HR-MS analysis ST:STUDY_SUMMARY confirmed that all hosts co-incorporated glucose-derived 13C and ST:STUDY_SUMMARY ammonium-derived 15N via GS/GOGAT mediated amino acid biosynthesis. Our results ST:STUDY_SUMMARY reveal a general carbon-nitrogen negative feedback loop underlying these ST:STUDY_SUMMARY symbioses and provide a parsimonious explanation for their repeated evolution. ST:INSTITUTE King Abdullah University of Science and Technology ST:LAST_NAME Cui ST:FIRST_NAME Guoxin ST:ADDRESS 4700 KAUST, 23955-6900 Thuwal ST:EMAIL guoxin.cui@kaust.edu.sa ST:PHONE +966544701749 #SUBJECT SU:SUBJECT_TYPE Invertebrate SU:SUBJECT_SPECIES Multiple Cnidarian species: Exaiptasia diaphana, Stylophora pistillata, SU:SUBJECT_SPECIES Cassiopea andromeda #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - ApoAip_13C15N1 Treatment:13CG+15NA RAW_FILE_NAME=ApoAip-13CG+15NA-1.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C15N2 Treatment:13CG+15NA RAW_FILE_NAME=ApoAip-13CG+15NA-2.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C15N3 Treatment:13CG+15NA RAW_FILE_NAME=ApoAip-13CG+15NA-3.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C15N4 Treatment:13CG+15NA RAW_FILE_NAME=ApoAip-13CG+15NA-4.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C1 Treatment:13CGG RAW_FILE_NAME=ApoAip-13CGG-1.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C2 Treatment:13CGG RAW_FILE_NAME=ApoAip-13CGG-2.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C3 Treatment:13CGG RAW_FILE_NAME=ApoAip-13CGG-3.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C4 Treatment:13CGG RAW_FILE_NAME=ApoAip-13CGG-4.raw SUBJECT_SAMPLE_FACTORS - ApoAip_13C5 Treatment:13CGG RAW_FILE_NAME=ApoAip-13CGG-5.raw SUBJECT_SAMPLE_FACTORS - ApoAip_15N1 Treatment:15NA RAW_FILE_NAME=ApoAip-15NA-1.raw SUBJECT_SAMPLE_FACTORS - ApoAip_15N2 Treatment:15NA RAW_FILE_NAME=ApoAip-15NA-2.raw SUBJECT_SAMPLE_FACTORS - ApoAip_15N3 Treatment:15NA RAW_FILE_NAME=ApoAip-15NA-3.raw SUBJECT_SAMPLE_FACTORS - ApoAip_15N4 Treatment:15NA RAW_FILE_NAME=ApoAip-15NA-4.raw SUBJECT_SAMPLE_FACTORS - ApoAip_Con1 Treatment:Con RAW_FILE_NAME=ApoAip-Con-1.raw SUBJECT_SAMPLE_FACTORS - ApoAip_Con2 Treatment:Con RAW_FILE_NAME=ApoAip-Con-2.raw SUBJECT_SAMPLE_FACTORS - ApoAip_Con3 Treatment:Con RAW_FILE_NAME=ApoAip-Con-3.raw SUBJECT_SAMPLE_FACTORS - ApoAip_Con4 Treatment:Con RAW_FILE_NAME=ApoAip-Con-4.raw SUBJECT_SAMPLE_FACTORS - ApoAip_Con5 Treatment:Con RAW_FILE_NAME=ApoAip-Con-5.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C15N1 Treatment:13CG+15NA RAW_FILE_NAME=SymAip-13CG+15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C15N2 Treatment:13CG+15NA RAW_FILE_NAME=SymAip-13CG+15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C15N3 Treatment:13CG+15NA RAW_FILE_NAME=SymAip-13CG+15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C15N4 Treatment:13CG+15NA RAW_FILE_NAME=SymAip-13CG+15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C1 Treatment:13CGG RAW_FILE_NAME=SymAip-13CGG-1.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C2 Treatment:13CGG RAW_FILE_NAME=SymAip-13CGG-2.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C3 Treatment:13CGG RAW_FILE_NAME=SymAip-13CGG-3.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C4 Treatment:13CGG RAW_FILE_NAME=SymAip-13CGG-4.raw SUBJECT_SAMPLE_FACTORS - SymAip_13C5 Treatment:13CGG RAW_FILE_NAME=SymAip-13CGG-5.raw SUBJECT_SAMPLE_FACTORS - SymAip_15N1 Treatment:15NA RAW_FILE_NAME=SymAip-15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymAip_15N2 Treatment:15NA RAW_FILE_NAME=SymAip-15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymAip_15N3 Treatment:15NA RAW_FILE_NAME=SymAip-15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymAip_15N4 Treatment:15NA RAW_FILE_NAME=SymAip-15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymAip_Con1 Treatment:Con RAW_FILE_NAME=SymAip-Con-1.raw SUBJECT_SAMPLE_FACTORS - SymAip_Con2 Treatment:Con RAW_FILE_NAME=SymAip-Con-2.raw SUBJECT_SAMPLE_FACTORS - SymAip_Con3 Treatment:Con RAW_FILE_NAME=SymAip-Con-3.raw SUBJECT_SAMPLE_FACTORS - SymAip_Con4 Treatment:Con RAW_FILE_NAME=SymAip-Con-4.raw SUBJECT_SAMPLE_FACTORS - SymAip_Con5 Treatment:Con RAW_FILE_NAME=SymAip-Con-5.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C15N1 Treatment:13CG+15NA RAW_FILE_NAME=SymCas-13CG+15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C15N2 Treatment:13CG+15NA RAW_FILE_NAME=SymCas-13CG+15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C15N3 Treatment:13CG+15NA RAW_FILE_NAME=SymCas-13CG+15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C15N4 Treatment:13CG+15NA RAW_FILE_NAME=SymCas-13CG+15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C1 Treatment:13CGG RAW_FILE_NAME=SymCas-13CGG-1.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C2 Treatment:13CGG RAW_FILE_NAME=SymCas-13CGG-2.raw SUBJECT_SAMPLE_FACTORS - SymCas_13C3 Treatment:13CGG RAW_FILE_NAME=SymCas-13CGG-3.raw SUBJECT_SAMPLE_FACTORS - SymCas_15N1 Treatment:15NA RAW_FILE_NAME=SymCas-15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymCas_15N2 Treatment:15NA RAW_FILE_NAME=SymCas-15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymCas_15N3 Treatment:15NA RAW_FILE_NAME=SymCas-15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymCas_15N4 Treatment:15NA RAW_FILE_NAME=SymCas-15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymCas_Con1 Treatment:Con RAW_FILE_NAME=SymCas-Con-1.raw SUBJECT_SAMPLE_FACTORS - SymCas_Con2 Treatment:Con RAW_FILE_NAME=SymCas-Con-2.raw SUBJECT_SAMPLE_FACTORS - SymCas_Con3 Treatment:Con RAW_FILE_NAME=SymCas-Con-3.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N1 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N2 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N3 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N4 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N5 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-5.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C15N6 Treatment:13CGG+15NA RAW_FILE_NAME=SymSty-13CGG+15NA-6.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C1 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-1.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C2 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-2.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C3 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-3.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C4 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-4.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C5 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-5.raw SUBJECT_SAMPLE_FACTORS - SymSty_13C6 Treatment:13CGG RAW_FILE_NAME=SymSty-13CGG-6.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N1 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-1.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N2 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-2.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N3 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-3.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N4 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-4.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N5 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-5.raw SUBJECT_SAMPLE_FACTORS - SymSty_15N6 Treatment:15NA RAW_FILE_NAME=SymSty-15NA-6.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con1 Treatment:Con RAW_FILE_NAME=SymSty-Con-1.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con2 Treatment:Con RAW_FILE_NAME=SymSty-Con-2.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con3 Treatment:Con RAW_FILE_NAME=SymSty-Con-3.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con4 Treatment:Con RAW_FILE_NAME=SymSty-Con-4.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con5 Treatment:Con RAW_FILE_NAME=SymSty-Con-5.raw SUBJECT_SAMPLE_FACTORS - SymSty_Con6 Treatment:Con RAW_FILE_NAME=SymSty-Con-6.raw #COLLECTION CO:COLLECTION_SUMMARY Coral fragments and jellyfish were collected from the Red Sea and maintained in CO:COLLECTION_SUMMARY the lab for more than 6 months before the experiment. Sea anemone Exaiptasia CO:COLLECTION_SUMMARY were maintained in the lab for more than 5 years before the experiment. CO:SAMPLE_TYPE Whole invertebrate animal #TREATMENT TR:TREATMENT_SUMMARY S. pistillata fragments, symbiotic and aposymbiotic E. diaphana polyps, and C. TR:TREATMENT_SUMMARY andromeda at the medusa stage were incubated for 48 hours with either filtered TR:TREATMENT_SUMMARY seawater, filtered seawater with 10 mM 13C6-glucose, filtered seawater with 250 TR:TREATMENT_SUMMARY µM 15N-ammonium, or filtered seawater and 10 mM 13C6-glucose and 250 µM TR:TREATMENT_SUMMARY 15N-ammonium. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Animal tissue homogenates were lysed in 5 ml milli-Q water and lyophilized using SP:SAMPLEPREP_SUMMARY a freeze dryer (Labconco). The lyophilisates were resuspended in 1 ml SP:SAMPLEPREP_SUMMARY pre-chilled (-20 ℃) 100% methanol, sonicated for 30 minutes at 4 ℃ in an SP:SAMPLEPREP_SUMMARY ultrasonication bath (Branson), and centrifuged at 3,000g for 30 minutes at 4 SP:SAMPLEPREP_SUMMARY ℃. The supernatants were collected and stored in -80 ℃. The pellets were SP:SAMPLEPREP_SUMMARY resuspended in 1 ml 50% methanol (-20 ℃) and centrifuged at 3,000g for 30 SP:SAMPLEPREP_SUMMARY minutes at 4 ℃. The supernatants were then combined with those collected from SP:SAMPLEPREP_SUMMARY the previous step. The total extracts were then centrifuged at 16,000g for 15 SP:SAMPLEPREP_SUMMARY minutes at 4 ℃ to remove any potential particulates. The supernatants were SP:SAMPLEPREP_SUMMARY dried using a speed vacuum concentrator (Labconco) and stored at -80 ℃ until SP:SAMPLEPREP_SUMMARY further processing. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Dionex Ultimate 3000 UHPLC CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 0.01% formic acid CH:SOLVENT_B 100% acetonitrile; 0.01% formic acid CH:FLOW_GRADIENT 0–8 min, 95 % B to 25 % B; 8–11 min, 25 % B; 11–12 min, 25 % B to 95 CH:FLOW_GRADIENT % B; 12–15 min, 95 % B CH:FLOW_RATE 0.25 mL/min CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Amino acids were detected using a mass spectrometer operated in positive mode MS:MS_COMMENTS with a spray voltage of 3.0 kV, sheath gas flow rate of 35 arbitrary units, MS:MS_COMMENTS auxiliary gas flow rate of 10 arbitrary units, spray capillary temperature of MS:MS_COMMENTS 300 °C, auxiliary gas heater temperature of 325 °C, AGC target of 3e6, and MS:MS_COMMENTS resolution of 280,000. Xcalibur software was used for the MS data acquisition, MS:MS_COMMENTS peak identification, signal extraction, and the related quantifications. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples ApoAip_Con1 ApoAip_Con2 ApoAip_Con3 ApoAip_Con4 ApoAip_Con5 ApoAip_15N1 ApoAip_15N2 ApoAip_15N3 ApoAip_15N4 ApoAip_13C1 ApoAip_13C2 ApoAip_13C3 ApoAip_13C4 ApoAip_13C5 ApoAip_13C15N1 ApoAip_13C15N2 ApoAip_13C15N3 ApoAip_13C15N4 SymAip_Con1 SymAip_Con2 SymAip_Con3 SymAip_Con4 SymAip_Con5 SymAip_15N1 SymAip_15N2 SymAip_15N3 SymAip_15N4 SymAip_13C1 SymAip_13C2 SymAip_13C3 SymAip_13C4 SymAip_13C5 SymAip_13C15N1 SymAip_13C15N2 SymAip_13C15N3 SymAip_13C15N4 SymCas_Con1 SymCas_Con2 SymCas_Con3 SymCas_15N1 SymCas_15N2 SymCas_15N3 SymCas_15N4 SymCas_13C1 SymCas_13C2 SymCas_13C3 SymCas_13C15N1 SymCas_13C15N2 SymCas_13C15N3 SymCas_13C15N4 SymSty_Con1 SymSty_Con2 SymSty_Con3 SymSty_Con4 SymSty_Con5 SymSty_Con6 SymSty_15N1 SymSty_15N2 SymSty_15N3 SymSty_15N4 SymSty_15N5 SymSty_15N6 SymSty_13C1 SymSty_13C2 SymSty_13C3 SymSty_13C4 SymSty_13C5 SymSty_13C6 SymSty_13C15N1 SymSty_13C15N2 SymSty_13C15N3 SymSty_13C15N4 SymSty_13C15N5 SymSty_13C15N6 Factors Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:Con Treatment:Con Treatment:Con Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:13CG+15NA Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:Con Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:15NA Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG Treatment:13CGG+15NA Treatment:13CGG+15NA Treatment:13CGG+15NA Treatment:13CGG+15NA Treatment:13CGG+15NA Treatment:13CGG+15NA 3-Phosphohydroxypyruvate 4975901 6706127 2925680 3021218 4063536 4648481 5883395 3567597 4991865 133049 606724 452078 232046 135105 280690 278680 224021 439325 601537 758635 1973487 1162420 na 8134302 11857794 16839379 6072124 427564 26438 228452 39175 na 1449977 700332 1355760 998406 4606549 2115088 2226665 12255339 13386177 6529286 4825811 870325 181727 552359 867637 653829 2147127 1547055 26764 1632652 33814200 22219896 7019272 8545727 8246397 7758434 8921547 7618258 7975970 6827096 2000911 1894055 1736916 1730147 1452908 1425965 1038881 1567008 1639237 1423141 1804377 1891475 Glutamate 1336107031 1748706214 1385321939 1199078459 1317283261 1182207225 1639095441 974187925 278922220 1279288925 870812313 756999054 600944309 960750133 482635594 442034282 513860480 508185180 1451445049 1735505650 1584933034 1971278995 1365881764 442458452 1530581592 1681436344 924810695 1463237972 765966612 691277078 819988646 561913241 603699865 167809514 421480883 176134354 885870062 1384954216 1685307851 987914 2029145 2077782 41200819 396256199 432473060 288306492 21618433 29966187 5037750 38560761 539255217 1159757961 2684228644 1100335898 903543896 1444544374 1382357883 2446589740 2762366653 1619596793 1820434287 1825107408 1654844106 1694733412 1208049626 215118180 370829090 1647024811 585753991 1475752790 1265324704 402168136 1732280599 2290868433 Glutamine 219746063 383848550 320739284 253142244 214321454 130817383 136365401 127314993 82459600 617796586 203233355 152149736 142153980 232288043 147906926 153129058 157293137 142767514 1558796616 2194588400 1697156534 1410854973 1315056297 177481661 537923656 523370109 335920083 712757393 1214634960 1257282273 1140900784 1175016155 197613919 167611603 167212692 196079174 2075265778 2141027031 1671049353 249699028 179372896 221777764 112752257 412228399 549698306 774460255 143264495 135841436 189227388 186588519 489585362 741511437 9641582105 3872063912 6574720573 5216748529 6607164617 3799180397 3648591031 4170646034 5023538633 4272180008 4193307273 3718003450 629573416 909380538 1449433606 1119096558 2412193737 3780463084 2393123228 2204780224 3572030664 3687521602 O-Phospho-L-serine 3142528 1980924 532459 801944 2328953 5171364 8162041 2356594 3916881 1120618 2625026 1771375 1678415 486062 1975968 2972252 1678325 2832812 8229331 7502438 8310084 8827896 1911779 2479544 2195715 3512672 2680988 5922959 8472762 6948786 7550187 3359075 2485345 1139655 1843051 1498344 na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na na Serine 227042581 376087421 319277201 341761734 225039763 270563014 285085121 265115251 228487166 688733257 244941155 206317058 211374386 251271703 272040537 278814570 259349912 272583383 229404540 227411388 224736774 336806313 372444614 579605636 1182319293 1570449632 1023880911 235247804 127996077 142564341 182099139 247428950 400896153 277202792 285845029 339230587 695001334 434679190 395213149 204744762 158561326 126406296 75001250 250431653 245027600 318984220 172350202 159549442 201696448 189240277 429741370 599051683 1331848196 789417609 1271587196 1202373246 1171817009 918166837 945781055 1086208937 1682746221 1691448637 3315804009 3257148262 553218273 530359488 1132156737 1173762894 1029014650 2971054599 1678561482 1073364518 2200589384 2848618152 Glycine 190650979 288898610 219839728 197829932 208907094 438754292 338160973 163604463 126346964 184849151 201718759 178002492 152000504 220844691 372520486 410302943 327221479 175837751 45767067 46442800 5884573 60951654 67606964 104745075 821981929 578890783 385845485 70407268 23141001 19221414 44727932 19060247 257834106 88365609 295342424 98414575 49589329 82803820 49520068 5217235 3768299 3074682 9416476 41576425 38486574 25874162 25920809 29182426 9374227 45784178 16728276 23082894 1257932002 776753381 1129954310 1129772341 996051253 1008311302 1186282610 1287366395 1355873887 1410176727 1091022238 1127340900 586174486 576058844 1263174559 936380887 1035599673 1055934095 894067110 978583929 811888441 1039041798 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z PubChem ID KEGG ID 3-Phosphohydroxypyruvate 184.98566 105 C03232 Glutamate 148.06034 33032 C00025 Glutamine 147.07642 5961 C00064 O-Phospho-L-serine 184.00165 68841 C01005 Serine 106.04987 5951 C00065 Glycine 76.0393 750 C00037 METABOLITES_END #END