#METABOLOMICS WORKBENCH NOZOMU_20230315_182439 DATATRACK_ID:3789 STUDY_ID:ST002507 ANALYSIS_ID:AN004129 PROJECT_ID:PR001619
VERSION             	1
CREATED_ON             	March 20, 2023, 7:44 am
#PROJECT
PR:PROJECT_TITLE                 	Lactate-dependent Transcriptional Regulation Controls Mammalian Eye
PR:PROJECT_TITLE                 	Morphogenesis
PR:PROJECT_SUMMARY               	Mammalian retinal metabolism favors aerobic glycolysis. However, the role of
PR:PROJECT_SUMMARY               	glycolytic metabolism in retinal morphogenesis remains unknown. Here we report
PR:PROJECT_SUMMARY               	that aerobic glycolysis is necessary for the early stages of retinal
PR:PROJECT_SUMMARY               	development. Taking advantage of an unbiased approach that combines the use of
PR:PROJECT_SUMMARY               	eye organoids and single-cell RNA sequencing we identified specific glucose
PR:PROJECT_SUMMARY               	transporters and glycolytic genes in retinal progenitors. Next, we determined
PR:PROJECT_SUMMARY               	that the optic vesicle territory of mouse embryos displays elevated levels of
PR:PROJECT_SUMMARY               	glycolytic activity. At the functional level, we found that removal of Glut1
PR:PROJECT_SUMMARY               	(also known as Slc2a1) and Lactate dehydrogenase A (Ldha) gene activity from
PR:PROJECT_SUMMARY               	developing retinal progenitors arrested eye morphogenesis. Surprisingly, we
PR:PROJECT_SUMMARY               	uncovered that lactate-mediated upregulation of key eye-field transcription
PR:PROJECT_SUMMARY               	factors was controlled by the epigenetic modification of histone H3 acetylation
PR:PROJECT_SUMMARY               	through histone deacetylase (Hdac) activity. Our results identify a novel
PR:PROJECT_SUMMARY               	bioenergetic independent role of lactate as a signaling molecule necessary for
PR:PROJECT_SUMMARY               	mammalian eye morphogenesis.
PR:INSTITUTE                     	Northwestern University
PR:LAST_NAME                     	TAKATA
PR:FIRST_NAME                    	NOZOMU
PR:ADDRESS                       	303 East Superior Street, 10-220
PR:EMAIL                         	nozomu.takata@northwestern.edu
PR:PHONE                         	3125036066
#STUDY
ST:STUDY_TITLE                   	Time-course analysis of C13 labeling in mouse eye organoids.
ST:STUDY_SUMMARY                 	The direct quantification of glucose consumption using 13C glucose time-course
ST:STUDY_SUMMARY                 	tracing was performed in cultured eye organoids and measured by LC-MS/MS
ST:STUDY_SUMMARY                 	analysis. The incubation was performed from 15 minutes to 2 hours. Cell Name
ST:STUDY_SUMMARY                 	AES0145 : Rx-GFP K/I EB5 (RIKEN Cell Bank): Organoid method (PMID: 21475194).
ST:INSTITUTE                     	Northwestern University
ST:LAST_NAME                     	TAKATA
ST:FIRST_NAME                    	NOZOMU
ST:ADDRESS                       	303 East Superior Street, 10-220
ST:EMAIL                         	nozomu.takata@northwestern.edu
ST:PHONE                         	3125036066
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	15mins-1	Genotype:Wild-type | Treatment:15mins	RAW_FILE_NAME=Time-course_15mins_biological_independent1.raw
SUBJECT_SAMPLE_FACTORS           	-	15mins-2	Genotype:Wild-type | Treatment:15mins	RAW_FILE_NAME=Time-course_15mins_biological_independent2.raw
SUBJECT_SAMPLE_FACTORS           	-	30mins-1	Genotype:Wild-type | Treatment:30mins	RAW_FILE_NAME=Time-course_30mins_biological_independent1.raw
SUBJECT_SAMPLE_FACTORS           	-	30mins-2	Genotype:Wild-type | Treatment:30mins	RAW_FILE_NAME=Time-course_30mins_biological_independent2.raw
SUBJECT_SAMPLE_FACTORS           	-	60mins-1	Genotype:Wild-type | Treatment:60mins	RAW_FILE_NAME=Time-course_60mins_biological_independent1.raw
SUBJECT_SAMPLE_FACTORS           	-	60mins-2	Genotype:Wild-type | Treatment:60mins	RAW_FILE_NAME=Time-course_60mins_biological_independent2.raw
SUBJECT_SAMPLE_FACTORS           	-	120mins-1	Genotype:Wild-type | Treatment:120mins	RAW_FILE_NAME=Time-course_120mins_biological_independent1.raw
SUBJECT_SAMPLE_FACTORS           	-	120mins-2	Genotype:Wild-type | Treatment:120mins	RAW_FILE_NAME=Time-course_120mins_biological_independent2.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	The eye organoids were collected and washed twice with PBS before pellets were
CO:COLLECTION_SUMMARY            	flash-frozen and stored at −80°C until metabolite extraction. Three
CO:COLLECTION_SUMMARY            	biologically independent repeated samples were collected.
CO:COLLECTION_PROTOCOL_FILENAME  	Glucose_and_lactate_isotope_labeling.pdf
CO:SAMPLE_TYPE                   	Retina
#TREATMENT
TR:TREATMENT_SUMMARY             	All the organoids (50 organoids per condition) were washed with blank SILAC
TR:TREATMENT_SUMMARY             	before being reconstituted in 13C medium at a concentration of 10 eye
TR:TREATMENT_SUMMARY             	organoids/ml The incubation was performed from 15 minutes to 2 hours for
TR:TREATMENT_SUMMARY             	time-course analysis of the glucose labeling.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The eye organoids were collected and washed twice with PBS before pellets were
SP:SAMPLEPREP_SUMMARY            	flash-frozen and stored at −80°C until metabolite extraction. Metabolite
SP:SAMPLEPREP_SUMMARY            	analysis was performed as described previously (PMID: 33931446). Briefly, for
SP:SAMPLEPREP_SUMMARY            	metabolite extraction, 80% methanol was used followed by the rapid freeze-thaw
SP:SAMPLEPREP_SUMMARY            	method to break the tissues. The supernatant underwent speedvac drying. The
SP:SAMPLEPREP_SUMMARY            	samples were prepared in 80% acetonitrile and were analyzed by High-Resolution
SP:SAMPLEPREP_SUMMARY            	Liquid Chromatography Tandem Mass Spectrometry (LC-MS/MS).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Q-exactive
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (100 x 3.0mm, 3.5um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 10 mM ammonium hydroxide; 10 mM ammonium acetate, pH
CH:SOLVENT_A                     	9.0
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, 62% A; 16.1-18 min, 75% A;
CH:FLOW_GRADIENT                 	18-25 min, 15% A with a flow rate of 150 μL/min
CH:FLOW_RATE                     	150 μL/mi
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The capillary of the ESI source was set to 275 °C, with sheath gas at 35
MS:MS_COMMENTS                   	arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0
MS:MS_COMMENTS                   	kV. In positive/negative polarity switching mode, an m/z scan range from 60 to
MS:MS_COMMENTS                   	900 was chosen and MS1 data was collected at a resolution of 70,000. The
MS:MS_COMMENTS                   	automatic gain control (AGC) target was set at 1 × 106 and the maximum
MS:MS_COMMENTS                   	injection time was 200 ms. The top 5 precursor ions were subsequently
MS:MS_COMMENTS                   	fragmented, in a data-dependent manner, using the higher energy collisional
MS:MS_COMMENTS                   	dissociation (HCD) cell set to 30% normalized collision energy in MS2 at a
MS:MS_COMMENTS                   	resolution power of 17,500. Besides matching m/z, metabolites are identified by
MS:MS_COMMENTS                   	matching either retention time with analytical standards and/or MS2
MS:MS_COMMENTS                   	fragmentation pattern. Data acquisition and analysis were carried out by
MS:MS_COMMENTS                   	Xcalibur 4.1 software and Tracefinder 4.1 software, respectively (both from
MS:MS_COMMENTS                   	Thermo Fisher Scientific)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	15mins-1	30mins-1	60mins-1	120mins-1	15mins-2	30mins-2	60mins-2	120mins-2
Factors	Genotype:Wild-type | Treatment:15mins	Genotype:Wild-type | Treatment:30mins	Genotype:Wild-type | Treatment:60mins	Genotype:Wild-type | Treatment:120mins	Genotype:Wild-type | Treatment:15mins	Genotype:Wild-type | Treatment:30mins	Genotype:Wild-type | Treatment:60mins	Genotype:Wild-type | Treatment:120mins
Total Ion Count	868508949271	939864861382	918049551818	808155826645	942919020914	841517261422	988463420231	862741660139
1,3-diphosphoglycerate	0	0	0	0	0	0	0	0
1,3-diphosphoglycerate_13C1	0	0	0	0	0	0	0	0
1,3-diphosphoglycerate_13C2	0	0	0	0	0	0	0	0
1,3-diphosphoglycerate_13C3	0	0	0	0	0	0	0	0
2,3-diphosphoglycerate	73545	33793	43113	71191	59685	32263	35058	0
2,3-diphosphoglycerate_13C1	0	0	177770	0	0	0	0	0
2,3-diphosphoglycerate_13C2	0	0	0	0	0	0	0	0
2,3-diphosphoglycerate_13C3	34948	0	0	0	0	0	0	0
2-HG	545830290	690777223	887619937	849937441	700565055	632876752	24611594	636310086
2-HG_13C1	24912215	34392055	45791059	46938356	35030220	31953431	1195041	40710701
2-HG_13C2	336600	2587201	31045723	70484294	1366818	5836479	1216287	73463528
2-HG_13C3	222772	371396	2160293	5535277	183571	364001	193940	7861447
2-HG_13C4	0	0	522655	3131473	0	0	0	4922413
2-HG_13C5	2527045	4079055	2881148	1693320	1380774	700800	910225	3022804
2/3-phosphoglycerate	1660129	318657	146539	2115171	302467	1004147	0	1257336
2/3-phosphoglycerate_13C1	0	0	0	0	0	0	0	0
2/3-phosphoglycerate_13C2	0	0	0	39050	0	0	0	0
2/3-phosphoglycerate_13C3	3444229	5154960	5300015	7977097	6955908	9163444	5018953	2414216
3-phospho-serine	0	0	0	0	0	0	0	0
3-phospho-serine_13C1	0	0	0	0	0	0	0	0
3-phospho-serine_13C2	0	0	0	0	0	0	0	0
3-phospho-serine_13C3	0	0	0	0	0	0	0	0
6-phospho-D-gluconate	0	257552	0	0	152107	462565	0	0
6-phospho-D-gluconate_13C1	0	31071	63527	0	0	0	0	0
6-phospho-D-gluconate_13C2	0	0	0	0	0	0	0	0
6-phospho-D-gluconate_13C3	0	0	0	0	0	0	0	0
6-phospho-D-gluconate_13C4	0	0	0	0	0	0	0	0
6-phospho-D-gluconate_13C5	31781	0	344161	0	0	0	13497215	0
6-phospho-D-gluconate_13C6	101876	93182	249929	118835	0	253109	529214	57222
acetoacetic acid / succinic semialdehyde	4930213	3109531	7034307	17217446	16295970	15474938	5036965	12692784
acetoacetate / succinic semialdehyde_13C1	0	87142	104476	243491	307686	192196	208637	327146
acetoacetate / succinic semialdehyde_13C2	0	0	10838	55920	53436	34068	46432	141040
acetoacetate / succinic semialdehyde_13C3	0	25875	144843	92943	379283	210738	305378	147665
acetoacetate / succinic semialdehyde_13C4	11823	2889895	582414	5804943	1932775	1932284	1519961	2544761
acetyl-CoA +	272835	0	0	0	0	0	0	58110
acetyl-CoA_13C1 +	0	0	0	0	0	0	0	0
acetyl-CoA_13C2 +	0	0	0	0	0	0	0	0
aconitic acid -	838606951	33860323	142956321	302952070	33110241	668784445	1205511	468306945
aconitic acid_13C1 -	49379012	0	4382435	23137695	1344094	48094602	0	53642331
aconitic acid_13C2 -	40738669	1020365	34294557	67640023	5002921	280892635	0	365345326
adenosine	12183522	4592786	6455762	3440419	6439980	6415351	11836453	5030100
adenosine_13C10	0	0	0	0	0	0	0	0
adenosine_13C5	0	0	297003	177921	0	16790	227999	549879
adenosine_13C6	0	0	0	0	0	0	0	25602
adenosine_13C7	0	0	0	0	0	0	0	14376
adenosine_13C8	0	0	0	0	0	0	0	0
adenosine_13C9	0	0	0	0	0	0	0	0
ADP / dGDP	10214720	5892180	5794882	7075443	4081644	4717838	3394024	4473949
ADP / dGDP_13C1	1013734	521626	315793	690122	67170	403887	63378	138754
ADP / dGDP_13C10	0	0	0	0	0	0	0	0
ADP / dGDP_13C2	15953	194240	18425	0	0	0	0	0
ADP / dGDP_13C3	0	0	0	13492	0	0	0	0
ADP / dGDP_13C4	0	0	0	0	0	0	0	0
ADP / dGDP_13C5	0	4181	700744	2630288	40433	370226	214293	1736185
ADP / dGDP_13C6	0	0	0	252572	0	0	0	23637
ADP / dGDP_13C7	0	0	0	0	0	0	0	0
ADP / dGDP_13C8	6619	0	0	0	0	0	0	0
ADP / dGDP_13C9	0	0	0	0	0	0	0	0
AICAR	0	0	0	0	0	0	0	0
AICAR_13C5	0	0	0	0	0	0	0	0
AICAR_13C6	0	0	0	477206	0	0	0	0
AICAR_13C7	0	0	0	143821	0	0	0	0
AICAR_13C8	0	0	0	0	0	0	0	0
AICAR_13C9	0	0	0	0	0	0	0	0
a-KG	1001807152	900201489	1840057200	1388009078	1535167869	1079788174	1413919263	988169448
a-KG_13C1	61093228	55509885	119062866	94893813	93040014	65648242	100102153	75888746
a-KG_13C2	5414351	26386051	193141049	218929439	30567209	80131760	243553165	193361504
a-KG_13C3	1030291	2779491	12645443	18946249	1988391	4567373	23182466	26174463
a-KG_13C4	0	295780	5688196	11910673	233209	1649352	12856284	17766905
a-KG_13C5	172338	224674	1927515	2288454	134147	629924	2958890	3043418
alanine	1010362790	615476908	497767139	455136276	813246319	505248873	558613652	382192528
alanine_13C1	25599666	16551419	13825930	17197254	20364665	14912767	21940756	19137777
alanine_13C2	4470019	10815818	13517177	17579538	17287123	17177176	29847807	27109659
alanine_13C3	178871811	400875568	454236228	498404743	612708579	583851503	781562292	634876518
AMP / dGMP	3584873	1611639	1714061	4380128	557465	2259676	11120	2026685
AMP / dGMP_13C10	0	0	0	0	0	0	0	43839
AMP / dGMP_13C5	0	0	0	231922	0	0	0	0
AMP / dGMP_13C6	0	0	0	0	0	0	0	0
AMP / dGMP_13C7	0	0	0	0	0	0	0	0
AMP / dGMP_13C8	0	0	0	0	0	0	0	0
AMP / dGMP_13C9	0	0	0	0	0	0	0	0
aspartate	1747110417	592499830	588969376	4817215051	501967212	1773066330	259582020	1240879456
aspartate_13C1	75220488	23860773	26496918	259414804	19280658	79018305	12314461	85710730
aspartate_13C2	1260579	3326373	22479480	390577947	3148415	47660810	18584185	145270203
aspartate_13C3	75220488	23860773	26496918	259414804	19280658	79018305	12314461	85710730
aspartate_13C4	0	0	185116	6554787	0	617790	0	3519325
ATP / dGTP	12235238	16581385	13042544	12797520	13077524	12948474	11643352	12354195
ATP / dGTP_13C10	0	0	0	0	0	0	0	0
ATP / dGTP_13C5	0	353880	2225647	5992712	746274	2462311	2603081	5772657
ATP / dGTP_13C6	0	0	104854	1337671	0	38369	51367	594165
ATP / dGTP_13C7	0	0	19279	45459	0	0	0	9413
ATP / dGTP_13C8	0	0	0	0	0	0	0	0
ATP / dGTP_13C9	0	0	0	0	0	0	0	81440
choline+	93413463	110875528	46266085	617396944	37589545	40998998	8113699	37050166
choline_13C1+	4542255	5288074	655252	31308843	1655158	1766702	1197393	1717945
choline_13C2+	0	0	0	508826	0	0	0	0
choline_13C3+	0	0	0	0	0	0	0	0
choline_13C4+	0	0	0	0	0	0	0	0
choline_13C5+	0	0	0	0	0	0	0	0
citrate(iso)/citrate	8593965	8514856	10520667	26484820	12688897	10510856	14853263	4537871
citrate(iso)/citrate_13C1	180738	0	161229	1713280	184442	0	379699	0
citrate(iso)/citrate_13C2	621396	200108	2899860	4672318	375200	1584873	5475503	1580487
citrate(iso)/citrate_13C3	0	0	0	322615	0	0	149182	0
citrate(iso)/citrate_13C4	0	0	0	0	0	0	284085	0
citrate(iso)/citrate_13C5	0	186599	0	0	0	0	0	0
citrate(iso)/citrate_13C6	0	0	0	0	0	0	0	0
CMP	0	0	0	264696	237645	356318	208884	232189
CMP_13C5	0	0	0	0	0	0	0	0
CMP_13C6	0	0	0	51187	0	0	0	0
CMP_13C7	0	0	0	0	0	0	0	0
CMP_13C8	0	465821	35892	0	18112	0	0	0
CMP_13C9	0	0	0	0	0	0	0	0
Crotonyl-CoA	0	0	61208	0	0	0	0	0
CTP	41090866	60618144	53760692	44787501	33204116	38129390	23957862	16628023
CTP_13C5	170977	1456898	8022081	14894442	240382	1347669	1578796	3560063
CTP_13C6	27258	0	98505	923001	0	0	0	0
CTP_13C7	98015	0	23931	520388	0	0	0	0
CTP_13C8	0	0	0	18259	0	0	0	0
CTP_13C9	0	0	0	0	0	0	0	0
cystathionine	6282529	5965992	7550868	11890368	13160194	15798340	18156658	17149725
cystathionine_13C1	97986	85030	26111	746035	206365	696205	237367	795020
cysteine	4934885	8978599	8698805	1631736	5592879	2452912	6068944	2889446
cysteine_13C1	0	0	0	0	0	0	0	0
cysteine_13C2	0	0	0	0	0	0	0	0
cysteine_13C3	0	163654	397530	252451	520665	500403	833082	382638
dATP	0	0	0	0	0	0	0	0
dATP_13C10	0	0	0	0	0	0	0	0
dATP_13C5	0	0	0	0	0	32446	0	0
dATP_13C6	0	0	0	0	0	0	0	0
dATP_13C7	0	0	0	0	0	0	0	0
dATP_13C8	0	0	0	0	0	0	0	0
dATP_13C9	0	0	0	0	0	0	0	0
dCTP	26429	20934	21162	23151	0	15235	0	41797
dCTP_13C5	0	0	0	0	0	0	0	0
dCTP_13C6	0	0	0	0	0	0	0	0
dCTP_13C7	0	0	0	0	0	0	0	0
dCTP_13C8	0	0	0	0	0	0	0	0
dCTP_13C9	0	0	0	0	0	0	0	0
deoxyguanosine	106034885	108244613	118492975	220953229	70414142	66386426	88128218	39926290
deoxyguanosine_13C10	0	0	0	0	0	0	0	0
deoxyguanosine_13C5	0	0	1205163	2812359	124137	270341	1407753	646204
deoxyguanosine_13C6	0	0	0	0	0	0	74237	0
deoxyguanosine_13C7	0	0	0	0	0	0	0	0
deoxyguanosine_13C8	0	0	0	0	0	0	0	0
deoxyguanosine_13C9	0	0	0	0	0	0	0	0
D-galactosamine/glucosamine-1/6-phosphate	4630648	0	0	25939931	0	2879037	0	3121952
D-galactosamine/glucosamine-1/6-phosphate_13C6	0	0	0	0	0	0	0	0
GAP / DHAP	367013	0	0	146465	0	130299	138669	99517
GAP / DHAP_13C1	0	0	0	0	0	0	0	0
GAP / DHAP_13C2	0	0	0	0	0	0	0	0
GAP / DHAP_13C3	42998251	313230236	272138234	38247596	598164436	55868665	748036832	48172951
D-ribose-1/5-phosphate	71851	288409	0	228062	343633	712962	0	596858
D-ribose-1/5-phosphate_13C1	0	0	0	0	0	0	0	96356
D-ribose-1/5-phosphate_13C2	0	0	0	0	0	0	0	0
D-ribose-1/5-phosphate_13C3	4389198	1482825	581247	1357449	1103077	3630607	0	4052634
D-ribose-1/5-phosphate_13C4	0	0	0	0	0	177200	0	69693
D-ribose-1/5-phosphate_13C5	177979	0	239674	219141	365962	0	0	175434
D-sedoheptulose-7-phosphate	0	0	0	0	354084	631481	526847	162448
D-sedoheptulose-7-phosphate_13C1	0	0	0	0	0	0	0	0
D-sedoheptulose-7-phosphate_13C2	0	0	0	0	0	0	0	0
D-sedoheptulose-7-phosphate_13C3	0	0	0	0	0	187756	0	0
D-sedoheptulose-7-phosphate_13C4	0	0	0	0	0	0	0	0
D-sedoheptulose-7-phosphate_13C5	0	0	0	0	0	0	0	0
D-sedoheptulose-7-phosphate_13C6	0	0	0	0	0	0	0	0
D-sedoheptulose-7-phosphate_13C7	0	754218	552405	213646	0	0	0	0
dTTP	0	0	0	0	0	0	0	0
dTTP_13C10	0	0	0	0	0	0	0	0
dTTP_13C5	0	0	0	0	0	0	0	0
dTTP_13C6	0	0	0	0	0	0	0	0
dTTP_13C7	0	0	0	0	0	0	0	0
dTTP_13C8	0	0	0	0	0	0	0	0
dTTP_13C9	0	0	0	0	0	0	0	0
dUTP	0	0	0	0	0	0	0	0
dUTP_13C5	0	0	0	0	0	0	0	0
dUTP_13C6	0	0	0	0	0	0	0	0
dUTP_13C7	0	0	0	0	0	0	0	0
dUTP_13C8	0	0	0	0	0	0	0	0
dUTP_13C9	0	0	0	0	0	0	0	0
F-1,6/2,6-P	9571322	4566282	6660872	3777552	4567836	3825570	4156175	3103262
F-1,6/2,6-P_13C1	412500	340429	405212	144908	482985	305603	301502	191923
F-1,6/2,6-P_13C2	281913	98056	57168	0	0	0	0	0
F-1,6/2,6-P_13C3	9841606	11972887	8423740	4601153	2935321	3269923	2604630	573644
F-1,6/2,6-P_13C4	1303324	1371704	1168094	303883	154339	61443	30204	0
F-1,6/2,6-P_13C5	8829716	5636849	11360547	5256991	3117975	4855369	4151832	1112640
F-1,6/2,6-P_13C6	105999562	132582627	211300893	122811608	71731775	64509354	52738434	25079917
fructose / mannose	85229074	94200712	30847213	14716850	36251684	28484886	23794885	3499193
fumarate	156503689	121310374	266543822	233731049	335809327	257430010	149743196	191761748
fumarate_13C1	5702811	4225984	10662381	11533028	12830597	10949236	7359823	13018907
fumarate_13C2	0	0	2656157	13649363	0	4905947	7363902	20641319
fumarate_13C3	1306172	2442399	3812204	5022218	3585704	3240129	3071447	5734364
fumarate_13C4	0	0	0	0	0	0	0	0
F6P/G1P/G6P	3274879	2203525	1019024	350101	6598718	4251397	2187324	699010
F6P/G1P/G6P_13C1	0	0	0	0	0	0	0	0
F6P/G1P/G6P_13C2	0	0	0	0	0	0	0	0
F6P/G1P/G6P_13C3	0	159938	0	0	0	0	0	0
F6P/G1P/G6P_13C4	0	0	0	0	0	0	0	0
F6P/G1P/G6P_13C5	0	378566	0	0	0	0	0	0
F6P/G1P/G6P_13C6	22155053	38517859	34291993	10554082	15223315	6831980	19197053	2329806
galactose / glucose	56163507	56085900	34722005	22326824	65609696	49829493	81083684	27753892
glucose_13C6	14746721164	15724011173	7356929189	905073265	3826218364	2350363070	4863320653	921675709
glutamate	13282901077	11850305472	15726018726	27548773538	11395251670	15672646945	2784376023	13151243398
glutamate_13C1	831559602	734335547	1017509543	1953898431	702647996	1016900086	188251786	1115677204
glutamate_13C2	60417804	313394114	1360723162	3787862916	182989352	944086525	364896117	2428299050
glutamate_13C3	5818158	17643847	79648837	314624763	11088408	54391757	32404347	323656079
glutamate_13C4	0	2837176	35625552	184868667	1027295	16524567	16124617	209145762
glutamate_13C5	0	740122	10556141	31999221	0	5201896	2133809	33153368
glutamine	17459333359	7407833144	7025437395	26605325050	3012178003	11783239023	1027301698	10004903136
glutamine_13C1	521419049	211811042	98540640	618263380	88759273	150676879	54361237	192040822
glutamine_13C2	10323647	7013294	24760083	110171281	2657681	42988284	7044360	83987962
glutamine_13C3	0	177369	5326599	6273820	5213743	9093582	955465	5025281
glutamine_13C4	0	0	0	5820268	0	331960	0	8355575
glutamine_13C5	0	0	0	327088	0	0	0	1464748
glutathione	139467312	56988143	840935242	3536726507	967252406	3739415817	167709164	1266811961
glutathione_13C1	12625591	5506723	79919718	353522619	97954716	382478439	16680746	130985249
glutathione_13C2	1356764	1024267	1538296	1832076	1475558	890202	261287	1094532
glutathione_13C3	57658	54781	0	1477857	0	122449	0	142531
glutathione_13C4	0	0	0	523190	0	0	0	385076
glutathione_13C5	0	0	0	0	0	0	0	0
glutathione disulfide	1169440	2389724	1128967	786336	247000	1308146	1363212	399540
glutathione disulfide_13C1	0	0	0	0	0	0	0	0
glutathione disulfide_13C2	0	0	0	0	0	0	0	0
glutathione disulfide_13C3	0	0	0	0	0	0	0	0
glutathione disulfide_13C4	0	0	0	0	0	0	0	0
glutathione disulfide_13C5	0	0	0	0	0	0	0	0
glycerate	194539935	181264684	83791244	43557727	181303484	109583838	105686014	40056177
glycerate_13C1	4451056	5114563	2374384	1992057	5392318	3259624	3354313	1561734
glycerate_13C2	175599	2833812	5188956	5815328	1294219	2193519	3799603	2446897
glycerate_13C3	34570150	132714317	210031354	224502464	69722165	91100827	161958162	99953033
glycerol-2/3-phosphate	2079444	571256	1449780	8453229	661325	1702807	1495	1106323
glycerol-2/3-phosphate_13C2	0	0	0	0	0	0	0	0
glycerol-2/3-phosphate_13C3	792118	969477	3364733	4590106	5246792	3923615	1945853	274162
glycine	1419129518	1865860876	1876144852	1637438028	1974396330	1772652665	1060021180	1496230557
glycine_13C1	22139383	31940362	36802295	32484565	35156438	35121976	22659583	34937824
glycine_13C2	4325113	13807706	31962494	27236203	15003747	27899015	19586361	31935777
GMP	0	0	0	0	0	0	0	0
GMP_13C10	0	0	0	0	0	0	0	0
GMP_13C5	0	0	0	0	0	0	0	0
GMP_13C6	0	0	0	0	0	0	0	0
GMP_13C7	0	0	0	0	0	0	0	0
GMP_13C8	0	0	0	0	0	0	0	0
GMP_13C9	0	0	0	0	0	0	0	0
GTP	12345114	16015238	10199530	6682360	16161115	11061854	6385257	4507758
GTP_13C10	0	0	0	0	0	0	0	0
GTP_13C5	473704	2198330	6613875	7826622	2669503	3839701	5272741	6427707
GTP_13C6	0	265882	1264243	1726168	44382	316763	465674	693354
GTP_13C7	0	0	76069	220818	21177	0	73959	15953
GTP_13C8	0	0	0	0	0	0	0	0
GTP_13C9	0	0	0	0	0	0	0	0
guanosine	177863284	237388318	272760214	261662113	320810292	319215446	399511325	273041623
guanosine_13C10	0	0	0	0	0	0	0	0
guanosine_13C5	2650264	2640403	10081222	6362700	2726358	4597209	8410792	6754686
guanosine_13C6	0	0	274244	375063	0	52749	116070	569493
guanosine_13C7	0	0	0	0	0	0	0	0
guanosine_13C8	172518	0	0	46992	0	0	0	18609
guanosine_13C9	0	0	0	0	0	66074	0	0
IDP	0	0	0	0	0	0	0	0
IDP_13C10	0	0	0	0	0	0	0	0
IDP_13C5	0	193651	0	0	0	0	0	0
IDP_13C6	0	0	0	0	0	0	0	0
IDP_13C7	0	0	0	0	0	0	0	0
IDP_13C8	0	0	0	0	0	0	0	0
IDP_13C9	0	0	0	0	0	0	0	0
IMP	0	0	0	0	0	0	0	0
IMP_13C10	0	1268599	2834118	0	4093439	0	12954325	0
IMP_13C5	0	0	0	0	0	0	0	0
IMP_13C6	0	0	0	0	0	0	0	0
IMP_13C7	0	0	0	0	0	0	0	0
IMP_13C8	0	0	0	631174	0	0	0	0
IMP_13C9	0	0	0	0	0	0	0	0
itaconic acid	2899994	5630693	6599118	11005937	6306100	7376140	6947532	6175242
itaconic acid_13C1	0	0	0	0	0	0	0	0
itaconic acid_13C2	0	0	0	0	0	0	0	0
lactate	5295811059	6055865828	5930947446	4260900479	6753781855	5058441705	7546755458	4542846493
lactate_13C1	193752699	236380385	240648302	178089152	263437626	201587996	330742039	210684118
lactate_13C2	282501271	582845945	1027085142	767592288	1049053516	756083089	1387347075	686351376
lactate_13C3	8482955200	17295741167	28849894998	23170525821	32432953504	21817126310	41265905679	19447175539
leucine / leucine(iso)	33710556366	34328663772	27365432168	20813233427	17257188846	14924569453	18253252568	10792089011
leucine / leucine(iso)_13C1	2266960898	2312465104	1788379097	1400834050	1161691281	997960814	1194958460	729729869
leucine / leucine(iso)_13C2	47275880	49257608	38509490	29880653	24748143	21610051	25551083	15342797
leucine / leucine(iso)_13C3	0	0	0	0	0	0	0	0
leucine / leucine(iso)_13C6	0	0	0	0	0	0	0	0
malate	14174442819	3511448972	6076435345	18830593377	2251499263	15587775022	519821048	12611229074
malate_13C1	686254602	159055590	299714084	1083248392	90198086	738065282	23734653	851324782
malate_13C2	49981401	26152070	316066068	1721045219	16015912	414650437	35726631	1291859653
malate_13C3	176997491	87525899	123264603	451907870	23329230	200828832	9063379	343709041
malate_13C4	31873280	4139746	8367698	41589482	456692	10040634	280304	36610402
mevalonate	0	0	0	0	0	0	0	0
mevalonate_13C1	0	0	0	0	25117	0	0	0
mevalonate_13C2	0	0	0	0	0	0	0	0
mevalonate_13C3	0	0	0	0	0	0	0	0
mevalonate_13C4	0	0	0	0	0	0	0	0
mevalonate_13C5	0	0	0	0	0	0	0	0
mevalonate_13C6	0	0	0	0	0	0	0	0
N-acetyl-glucosamine-1/6-phosphate	0	205624	352681	0	1310424	0	0	0
N-acetyl-glucosamine-1/6-phosphate_13C6	0	0	0	0	0	0	0	0
N-acetyl-glucosamine-1/6-phosphate_13C8	0	0	0	0	0	0	0	0
NAD+	6184813	5033777	2386368	8469986	4189366	5263834	1937387	1710164
NADH	8429282	2794654	4768546	4215859	795846	3473890	96906	1572017
NADP+	0	0	0	0	0	0	0	0
NADPH	0	0	0	0	0	0	0	0
N-carbamoyl-L-aspartate	19779735	5647196	5921794	363003384	6703073	29452239	6505189	38108480
N-carbamoyl-L-aspartate_13C1	433831	0	0	22909669	0	1365828	0	2945751
N-carbamoyl-L-aspartate_13C2	0	0	0	26696819	0	90922	0	4063602
N-carbamoyl-L-aspartate_13C3	0	0	0	7005641	0	77634	0	1206004
N-carbamoyl-L-aspartate_13C4	0	0	0	137782	0	0	0	0
N-carbamoyl-L-aspartate_13C5	0	0	0	0	0	0	0	0
oxaloacetate	534050	0	0	248646	0	356394	0	365760
oxaloacetate_13C1	0	0	0	0	0	0	0	0
oxaloacetate_13C2	0	0	0	0	0	0	0	0
oxaloacetate_13C3	0	0	0	0	0	0	0	0
oxaloacetate_13C4	0	0	0	0	0	0	0	0
phosphoenolpyruvate	0	0	0	0	0	0	0	0
phosphoenolpyruvate_13C1	0	0	0	0	0	0	0	0
phosphoenolpyruvate_13C2	0	0	0	0	0	0	0	0
phosphoenolpyruvate_13C3	0	0	799157	0	1568080	664669	253618	0
PRPP	0	0	0	0	0	0	0	0
PRPP_13C1	0	0	0	0	0	0	0	0
PRPP_13C2	0	0	0	0	0	0	0	0
PRPP_13C3	0	0	0	0	0	0	0	0
PRPP_13C4	0	0	0	0	0	0	0	0
PRPP_13C5	0	21492	0	0	0	0	0	0
pyruvate	111574515	22091713	5699853	552035	9454139	22912593	7697751	15405341
pyruvate_13C1	1949273	761531	280173	119705	663057	1921407	330882	1327985
pyruvate_13C2	7509963	5679438	13064511	22951210	18973535	15421545	18643600	18539016
pyruvate_13C3	270494657	210479420	464104463	785442269	682802120	579042799	682836847	602493958
S-adenosyl-L-homoCysteine	7989633	968915	909132	18039188	1941071	15015113	0	11234008
S-adenosyl-L-homoCysteine_13C1	334901	0	0	2093996	0	2011432	0	1882396
S-adenosyl-L-methionine	150150494	213182311	263318820	195545101	232264902	208089204	257595756	138684543
S-adenosyl-L-methionine_13C1	21577417	31711667	39640469	30335935	36109643	29614558	40810930	23081028
S-adenosyl-L-methionine_13C2	1201869	1743835	3365370	3051970	1787723	2067480	2608608	2111044
S-adenosyl-L-methionine_13C3	0	0	289796	912414	0	43675	103057	442483
S-adenosyl-L-methionine_13C4	0	0	1454480	3737076	50652	162250	1222551	2535834
S-adenosyl-L-methionine_13C5	0	2411845	33350233	61039320	3100320	9595761	32138524	39147018
S-adenosyl-L-methionine_13C6	0	152974	7611500	14774198	64437	1283532	6077710	9846182
S-adenosyl-L-methionine_13C7	0	0	838178	2719587	0	0	420062	1180284
S-adenosyl-L-methionine_13C8	0	0	0	307733	0	0	0	24197
S-adenosyl-L-methionine_13C9	0	0	0	16636	0	0	0	21870
serine	1344437531	744281926	685357874	2215692075	566183664	1166011534	340662839	917079726
serine_13C1	42087828	23426485	29418284	125593398	19551574	56360820	14036849	50303180
serine_13C2	1661786	3727126	7200905	30618010	1775974	9097152	1574333	11137787
serine_13C3	33943346	33009449	37616885	141629699	34071000	89054645	24318148	70152751
sorbitol / galactitol / L-iditol / manitol	590432609	644688785	441184642	173092016	401718588	262080000	164598392	65258703
sorbitol / galactitol / L-iditol / manitol_13C6	11427660	61364548	224265462	367618750	59786873	89034427	159135208	124499186
succinate	4927676321	4722147969	3604701228	2059789221	3586950360	2628877431	1770718332	2102317199
succinate_13C1	201621204	207946969	173491652	114719780	156054949	122378639	98020864	162231414
succinate_13C2	4523178	100450168	277380882	224118163	50492347	133102031	210748191	292369485
succinate_13C3	3142555	5928253	19909710	31649463	3083977	9238050	26895609	69644923
succinate_13C4	15275778	24797793	7218814	5368566	2004160	2362797	5725390	10879320
UDP-N-acetyl-galactosamine/glucosamine	44372925	6469222	7167579	128693168	6537580	30450794	4837350	14376213
UDP-N-acetyl-galactosamine/glucosamine_13C13	0	0	0	6347816	0	0	0	614234
UDP-N-acetyl-galactosamine/glucosamine_13C6	82008	191173	0	29201758	0	2069892	0	3530316
UDP-N-acetyl-galactosamine/glucosamine_13C8	0	0	0	13100421	0	190615	0	1921829
UMP	14307154	407310	4483027	9876797	1538154	2731065	3333495	3251720
UMP_13C5	0	0	1237509	0	0	0	0	553065
UMP_13C6	0	0	0	0	0	0	0	0
UMP_13C7	0	0	0	0	0	0	0	0
UMP_13C8	0	0	0	0	0	0	0	0
UMP_13C9	0	0	0	0	0	0	0	0
UTP	12915213	10302636	5161780	9065528	7284889	9447480	4367012	2646781
UTP_13C5	1003818	2460742	3741410	12735199	252909	1310112	645843	1483134
UTP_13C6	502794	0	198366	437079	193660	171902	0	193565
UTP_13C7	0	41331	0	73241	0	0	0	0
UTP_13C8	0	0	0	0	0	0	0	0
UTP_13C9	0	0	0	0	0	0	0	0
xylitol / arabitol / ribito	23002896	20594199	17914177	19822198	21640901	24721182	15204793	12828873
xylitol / arabitol / ribito_13C5	83445	116519	1408225	5226353	98347	723821	705352	2600191
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID
Total Ion Count
1,3-diphosphoglycerate	C00236
1,3-diphosphoglycerate_13C1
1,3-diphosphoglycerate_13C2
1,3-diphosphoglycerate_13C3
2,3-diphosphoglycerate	C01159
2,3-diphosphoglycerate_13C1
2,3-diphosphoglycerate_13C2
2,3-diphosphoglycerate_13C3
2-HG	C02630
2-HG_13C1
2-HG_13C2
2-HG_13C3
2-HG_13C4
2-HG_13C5
2/3-phosphoglycerate	C00631 / C00197
2/3-phosphoglycerate_13C1
2/3-phosphoglycerate_13C2
2/3-phosphoglycerate_13C3
3-phospho-serine	C01005
3-phospho-serine_13C1
3-phospho-serine_13C2
3-phospho-serine_13C3
6-phospho-D-gluconate	C00345
6-phospho-D-gluconate_13C1
6-phospho-D-gluconate_13C2
6-phospho-D-gluconate_13C3
6-phospho-D-gluconate_13C4
6-phospho-D-gluconate_13C5
6-phospho-D-gluconate_13C6
acetoacetic acid / succinic semialdehyde	C00164 / C00232
acetoacetate / succinic semialdehyde_13C1
acetoacetate / succinic semialdehyde_13C2
acetoacetate / succinic semialdehyde_13C3
acetoacetate / succinic semialdehyde_13C4
acetyl-CoA +	C00024
acetyl-CoA_13C1 +
acetyl-CoA_13C2 +
aconitic acid -	C6H6O6
aconitic acid_13C1 -
aconitic acid_13C2 -
adenosine	C00212
adenosine_13C10
adenosine_13C5
adenosine_13C6
adenosine_13C7
adenosine_13C8
adenosine_13C9
ADP / dGDP	C00008 / C00361
ADP / dGDP_13C1
ADP / dGDP_13C10
ADP / dGDP_13C2
ADP / dGDP_13C3
ADP / dGDP_13C4
ADP / dGDP_13C5
ADP / dGDP_13C6
ADP / dGDP_13C7
ADP / dGDP_13C8
ADP / dGDP_13C9
AICAR	C04677
AICAR_13C5
AICAR_13C6
AICAR_13C7
AICAR_13C8
AICAR_13C9
a-KG	C00026
a-KG_13C1
a-KG_13C2
a-KG_13C3
a-KG_13C4
a-KG_13C5
alanine	C00041-C00133
alanine_13C1
alanine_13C2
alanine_13C3
AMP / dGMP	C00020 / C00362
AMP / dGMP_13C10
AMP / dGMP_13C5
AMP / dGMP_13C6
AMP / dGMP_13C7
AMP / dGMP_13C8
AMP / dGMP_13C9
aspartate	C16433-C00049
aspartate_13C1
aspartate_13C2
aspartate_13C3
aspartate_13C4
ATP / dGTP	C00002 / C00286
ATP / dGTP_13C10
ATP / dGTP_13C5
ATP / dGTP_13C6
ATP / dGTP_13C7
ATP / dGTP_13C8
ATP / dGTP_13C9
choline+	C00114
choline_13C1+
choline_13C2+
choline_13C3+
choline_13C4+
choline_13C5+
citrate(iso)/citrate	C00311 / C00063
citrate(iso)/citrate_13C1
citrate(iso)/citrate_13C2
citrate(iso)/citrate_13C3
citrate(iso)/citrate_13C4
citrate(iso)/citrate_13C5
citrate(iso)/citrate_13C6
CMP	C00055
CMP_13C5
CMP_13C6
CMP_13C7
CMP_13C8
CMP_13C9
Crotonyl-CoA	C00877
CTP	C00063
CTP_13C5
CTP_13C6
CTP_13C7
CTP_13C8
CTP_13C9
cystathionine	C00542
cystathionine_13C1
cysteine	C00736-C00097
cysteine_13C1
cysteine_13C2
cysteine_13C3
dATP	C00131
dATP_13C10
dATP_13C5
dATP_13C6
dATP_13C7
dATP_13C8
dATP_13C9
dCTP	C00458
dCTP_13C5
dCTP_13C6
dCTP_13C7
dCTP_13C8
dCTP_13C9
deoxyguanosine	C00330
deoxyguanosine_13C10
deoxyguanosine_13C5
deoxyguanosine_13C6
deoxyguanosine_13C7
deoxyguanosine_13C8
deoxyguanosine_13C9
D-galactosamine/glucosamine-1/6-phosphate	C03783 / C00352 / C06156 / C00352
D-galactosamine/glucosamine-1/6-phosphate_13C6
GAP / DHAP	C00118 / C00111
GAP / DHAP_13C1
GAP / DHAP_13C2
GAP / DHAP_13C3
D-ribose-1/5-phosphate	C00620 / C00117
D-ribose-1/5-phosphate_13C1
D-ribose-1/5-phosphate_13C2
D-ribose-1/5-phosphate_13C3
D-ribose-1/5-phosphate_13C4
D-ribose-1/5-phosphate_13C5
D-sedoheptulose-7-phosphate	C05382
D-sedoheptulose-7-phosphate_13C1
D-sedoheptulose-7-phosphate_13C2
D-sedoheptulose-7-phosphate_13C3
D-sedoheptulose-7-phosphate_13C4
D-sedoheptulose-7-phosphate_13C5
D-sedoheptulose-7-phosphate_13C6
D-sedoheptulose-7-phosphate_13C7
dTTP	C00459
dTTP_13C10
dTTP_13C5
dTTP_13C6
dTTP_13C7
dTTP_13C8
dTTP_13C9
dUTP	C00460
dUTP_13C5
dUTP_13C6
dUTP_13C7
dUTP_13C8
dUTP_13C9
F-1,6/2,6-P	C00354 / C00665
F-1,6/2,6-P_13C1
F-1,6/2,6-P_13C2
F-1,6/2,6-P_13C3
F-1,6/2,6-P_13C4
F-1,6/2,6-P_13C5
F-1,6/2,6-P_13C6
fructose / mannose	C00095 / C00159
fumarate	C00122
fumarate_13C1
fumarate_13C2
fumarate_13C3
fumarate_13C4
F6P/G1P/G6P	C00085 / C00103 / C00092
F6P/G1P/G6P_13C1
F6P/G1P/G6P_13C2
F6P/G1P/G6P_13C3
F6P/G1P/G6P_13C4
F6P/G1P/G6P_13C5
F6P/G1P/G6P_13C6
galactose / glucose	C00124 / C00267
glucose_13C6
glutamate	C00302-C00025
glutamate_13C1
glutamate_13C2
glutamate_13C3
glutamate_13C4
glutamate_13C5
glutamine	C00303-C00064
glutamine_13C1
glutamine_13C2
glutamine_13C3
glutamine_13C4
glutamine_13C5
glutathione	C00051
glutathione_13C1
glutathione_13C2
glutathione_13C3
glutathione_13C4
glutathione_13C5
glutathione disulfide	C00127
glutathione disulfide_13C1
glutathione disulfide_13C2
glutathione disulfide_13C3
glutathione disulfide_13C4
glutathione disulfide_13C5
glycerate	C00258
glycerate_13C1
glycerate_13C2
glycerate_13C3
glycerol-2/3-phosphate	C02979 / C00093
glycerol-2/3-phosphate_13C2
glycerol-2/3-phosphate_13C3
glycine	C00037
glycine_13C1
glycine_13C2
GMP	C00144
GMP_13C10
GMP_13C5
GMP_13C6
GMP_13C7
GMP_13C8
GMP_13C9
GTP	C00044
GTP_13C10
GTP_13C5
GTP_13C6
GTP_13C7
GTP_13C8
GTP_13C9
guanosine	C00387
guanosine_13C10
guanosine_13C5
guanosine_13C6
guanosine_13C7
guanosine_13C8
guanosine_13C9
IDP	C00104
IDP_13C10
IDP_13C5
IDP_13C6
IDP_13C7
IDP_13C8
IDP_13C9
IMP	C00130
IMP_13C10
IMP_13C5
IMP_13C6
IMP_13C7
IMP_13C8
IMP_13C9
itaconic acid	C00490
itaconic acid_13C1
itaconic acid_13C2
lactate	C01432-C00186
lactate_13C1
lactate_13C2
lactate_13C3
leucine / leucine(iso)	C16439-C00123 / C16434-C00407
leucine / leucine(iso)_13C1
leucine / leucine(iso)_13C2
leucine / leucine(iso)_13C3
leucine / leucine(iso)_13C6
malate	C00711-C00149
malate_13C1
malate_13C2
malate_13C3
malate_13C4
mevalonate	C00418
mevalonate_13C1
mevalonate_13C2
mevalonate_13C3
mevalonate_13C4
mevalonate_13C5
mevalonate_13C6
N-acetyl-glucosamine-1/6-phosphate	C04256 / C00357
N-acetyl-glucosamine-1/6-phosphate_13C6
N-acetyl-glucosamine-1/6-phosphate_13C8
NAD+	C00003
NADH	C00004
NADP+	C00006
NADPH	C00005
N-carbamoyl-L-aspartate	C00438
N-carbamoyl-L-aspartate_13C1
N-carbamoyl-L-aspartate_13C2
N-carbamoyl-L-aspartate_13C3
N-carbamoyl-L-aspartate_13C4
N-carbamoyl-L-aspartate_13C5
oxaloacetate	C00036
oxaloacetate_13C1
oxaloacetate_13C2
oxaloacetate_13C3
oxaloacetate_13C4
phosphoenolpyruvate	C00074
phosphoenolpyruvate_13C1
phosphoenolpyruvate_13C2
phosphoenolpyruvate_13C3
PRPP	C00119
PRPP_13C1
PRPP_13C2
PRPP_13C3
PRPP_13C4
PRPP_13C5
pyruvate	C00022
pyruvate_13C1
pyruvate_13C2
pyruvate_13C3
S-adenosyl-L-homoCysteine	C00021
S-adenosyl-L-homoCysteine_13C1
S-adenosyl-L-methionine	C00019
S-adenosyl-L-methionine_13C1
S-adenosyl-L-methionine_13C2
S-adenosyl-L-methionine_13C3
S-adenosyl-L-methionine_13C4
S-adenosyl-L-methionine_13C5
S-adenosyl-L-methionine_13C6
S-adenosyl-L-methionine_13C7
S-adenosyl-L-methionine_13C8
S-adenosyl-L-methionine_13C9
serine	C00716-C00065
serine_13C1
serine_13C2
serine_13C3
sorbitol / galactitol / L-iditol / manitol	C00794 / C01697 / C01507 / C00392
sorbitol / galactitol / L-iditol / manitol_13C6
succinate	C00042
succinate_13C1
succinate_13C2
succinate_13C3
succinate_13C4
UDP-N-acetyl-galactosamine/glucosamine	C00203 / C00043
UDP-N-acetyl-galactosamine/glucosamine_13C13
UDP-N-acetyl-galactosamine/glucosamine_13C6
UDP-N-acetyl-galactosamine/glucosamine_13C8
UMP	C00105
UMP_13C5
UMP_13C6
UMP_13C7
UMP_13C8
UMP_13C9
UTP	C00075
UTP_13C5
UTP_13C6
UTP_13C7
UTP_13C8
UTP_13C9
xylitol / arabitol / ribito	C00379/ C01904 / C00532 / C00474
xylitol / arabitol / ribito_13C5
METABOLITES_END
#END