#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004685 PROJECT_ID:PR001789
VERSION             	1
CREATED_ON             	September 13, 2023, 3:17 pm
#PROJECT
PR:PROJECT_TITLE                 	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
PR:PROJECT_TITLE                 	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
PR:PROJECT_TITLE                 	dose-escalation clinical trial
PR:PROJECT_SUMMARY               	SUMMARY This is an open-label, first-in-human, dose-escalation phase I study
PR:PROJECT_SUMMARY               	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
PR:PROJECT_SUMMARY               	and tolerability of the transplantation of allogeneic human neural
PR:PROJECT_SUMMARY               	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
PR:PROJECT_SUMMARY               	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
PR:PROJECT_SUMMARY               	patients from two trial sites that received increasing numbers of allogeneic
PR:PROJECT_SUMMARY               	hNSCs delivered via intracerebroventricular injection in combination with an
PR:PROJECT_SUMMARY               	immunosuppressive regimen. No treatment-related deaths nor serious adverse
PR:PROJECT_SUMMARY               	events (AEs) were observed over the 12-month follow-up. Participants displayed
PR:PROJECT_SUMMARY               	stability of clinical and laboratory parameters, as well as lesion load and
PR:PROJECT_SUMMARY               	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
PR:PROJECT_SUMMARY               	and lipidomics analyses of cerebrospinal fluid and serum from these patients
PR:PROJECT_SUMMARY               	identified time and dose-dependent responses, with increased levels of free
PR:PROJECT_SUMMARY               	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
PR:PROJECT_SUMMARY               	injected hNSCs at the one-year follow-up time point. Finally, a significant
PR:PROJECT_SUMMARY               	inverse correlation was found between the highest dose of injected hNSCs and the
PR:PROJECT_SUMMARY               	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
PR:PROJECT_SUMMARY               	clinical covariates that correlated with CSF levels of free fatty acids,
PR:PROJECT_SUMMARY               	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
PR:PROJECT_SUMMARY               	deamination products, such as hypoxanthine. The absence of AEs and the stability
PR:PROJECT_SUMMARY               	of functional and structural outcomes is reassuring in terms of risks and
PR:PROJECT_SUMMARY               	represent a main milestone to rigorously address the challenges for the safe
PR:PROJECT_SUMMARY               	translation of key principles of stem cell biology into effective regenerative
PR:PROJECT_SUMMARY               	medicines.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:DEPARTMENT                    	Department of Biochemistry and Molecular Genetics
PR:LAST_NAME                     	Stephenson
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
PR:EMAIL                         	daniel.stephenson@cuanschutz.edu
PR:PHONE                         	303-724-3339
#STUDY
ST:STUDY_TITLE                   	Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells
ST:STUDY_TITLE                   	in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I
ST:STUDY_TITLE                   	dose-escalation clinical trial - Metabolomics Analysis of Human Serum
ST:STUDY_SUMMARY                 	This is an open-label, first-in-human, dose-escalation phase I study
ST:STUDY_SUMMARY                 	(NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety,
ST:STUDY_SUMMARY                 	and tolerability of the transplantation of allogeneic human neural
ST:STUDY_SUMMARY                 	stem/progenitor cells (hNSCs) for the treatment of progressive multiple
ST:STUDY_SUMMARY                 	sclerosis. We report the analysis of 1 year of data from the first cohort of 15
ST:STUDY_SUMMARY                 	patients from two trial sites that received increasing numbers of allogeneic
ST:STUDY_SUMMARY                 	hNSCs delivered via intracerebroventricular injection in combination with an
ST:STUDY_SUMMARY                 	immunosuppressive regimen. No treatment-related deaths nor serious adverse
ST:STUDY_SUMMARY                 	events (AEs) were observed over the 12-month follow-up. Participants displayed
ST:STUDY_SUMMARY                 	stability of clinical and laboratory parameters, as well as lesion load and
ST:STUDY_SUMMARY                 	activity at the brain MRIs, compared to study entry. Longitudinal metabolomics
ST:STUDY_SUMMARY                 	and lipidomics analyses of cerebrospinal fluid and serum from these patients
ST:STUDY_SUMMARY                 	identified time and dose-dependent responses, with increased levels of free
ST:STUDY_SUMMARY                 	fatty acids and acylcarnitines in the CSF, especially at the highest dose of
ST:STUDY_SUMMARY                 	injected hNSCs at the one-year follow-up time point. Finally, a significant
ST:STUDY_SUMMARY                 	inverse correlation was found between the highest dose of injected hNSCs and the
ST:STUDY_SUMMARY                 	smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03),
ST:STUDY_SUMMARY                 	clinical covariates that correlated with CSF levels of free fatty acids,
ST:STUDY_SUMMARY                 	acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and
ST:STUDY_SUMMARY                 	deamination products, such as hypoxanthine. The absence of AEs and the stability
ST:STUDY_SUMMARY                 	of functional and structural outcomes is reassuring in terms of risks and
ST:STUDY_SUMMARY                 	represent a main milestone to rigorously address the challenges for the safe
ST:STUDY_SUMMARY                 	translation of key principles of stem cell biology into effective regenerative
ST:STUDY_SUMMARY                 	medicines.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Stephenson
ST:FIRST_NAME                    	Daniel
ST:ADDRESS                       	Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA
ST:EMAIL                         	daniel.stephenson@cuanschutz.edu
ST:PHONE                         	303-724-3339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
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SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-153	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-153+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1219	DS1-123-154	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-154+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1249	DS1-123-155	TIMEPOINT:FU3	RAW_FILE_NAME=DS1-123-155+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_oxylipinsSerum.mzXML
SUBJECT_SAMPLE_FACTORS           	1228	DS1-123-156	TIMEPOINT:FU9	RAW_FILE_NAME=DS1-123-156+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_oxylipinsSerum.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	lumbar puncture for serum and CSF collection (stored at -80°C)
CO:SAMPLE_TYPE                   	Serum
#TREATMENT
TR:TREATMENT_SUMMARY             	A total of 180 candidates volunteered between September 26, 2017, and January
TR:TREATMENT_SUMMARY             	13, 2020. The study was conducted in three centers. Two Italian centers, the
TR:TREATMENT_SUMMARY             	‘IRCCS Casa Sollievo della Sofferenza’ Research Hospital (Site 1) and the
TR:TREATMENT_SUMMARY             	‘Santa Maria di Terni’ Hospital (Site 2) recruited patients and performed
TR:TREATMENT_SUMMARY             	the MRI examinations. The Multiple Sclerosis Centre of the Neurocentre of
TR:TREATMENT_SUMMARY             	Southern Switzerland (Site 3) performed the magnetic resonance imaging (MRI)
TR:TREATMENT_SUMMARY             	analysis. The ICVI of the ACT was performed at Site 2. Screening was done one
TR:TREATMENT_SUMMARY             	month prior to enrolment in the study. The run-in period started after the
TR:TREATMENT_SUMMARY             	screening examination (Run-in-START) and lasted three months (Run-in-END). After
TR:TREATMENT_SUMMARY             	screening in the two recruiting centers (as above), n= 15 subjects with active
TR:TREATMENT_SUMMARY             	and non-active SPMS suffering from progressive disability were found to be
TR:TREATMENT_SUMMARY             	eligible, consented, and were assigned a unique identification number.
TR:TREATMENT_SUMMARY             	Participants, nine females and six males, had a mean age of 50 years (range:
TR:TREATMENT_SUMMARY             	38–57), and were recruited in similar proportions by the two study sites. The
TR:TREATMENT_SUMMARY             	mean EDSS was 7.6 (range 7–8), mean disease duration was 23 years (range
TR:TREATMENT_SUMMARY             	14–30), and mean time from diagnosis to secondary progression was 10 years
TR:TREATMENT_SUMMARY             	(range: 1–20). The hNSC-SPMS study was advertised using the website of the
TR:TREATMENT_SUMMARY             	hospitals and social media (eg Facebook and Twitter). The first patient
TR:TREATMENT_SUMMARY             	selection was performed based on the documentation provided. Selected patients
TR:TREATMENT_SUMMARY             	were then summoned in Site 1 and Site 2 (as above) for a first pre-screening
TR:TREATMENT_SUMMARY             	meeting with the clinicians. Patients who agreed to participate were then
TR:TREATMENT_SUMMARY             	subjected to the screening visit for the clinical trial. Following the surgical
TR:TREATMENT_SUMMARY             	procedure, follow-up visits were performed monthly up to 12 months. Before
TR:TREATMENT_SUMMARY             	transplantation, all patients underwent the following examinations (at both
TR:TREATMENT_SUMMARY             	Run-in-START and Run-in-END): physical and neurological exams; vital signs;
TR:TREATMENT_SUMMARY             	pregnancy tests (in fertile women); haematological and urine tests; lumbar
TR:TREATMENT_SUMMARY             	puncture for serum and CSF collection (stored at -80°C);
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Extraction of metabolites and lipids from serum and cerebrospinal fluid (CSF)
SP:SAMPLEPREP_SUMMARY            	was as follows: 40 µL CSF or serum was aliquoted into 2mL deep well plates
SP:SAMPLEPREP_SUMMARY            	followed by an addition of 360 µL cold MeOH:MeCN:H2O (5:3:2, v:v:v). Plates
SP:SAMPLEPREP_SUMMARY            	were then placed on a shaker at 4°C and plate shaker was set to 400 RPM for 30
SP:SAMPLEPREP_SUMMARY            	minutes. Insoluble material was pelleted by centrifugation (4000 RPM, 10 min)
SP:SAMPLEPREP_SUMMARY            	and supernatants were isolated for analysis by UHPLC-MS. All 96-well plate
SP:SAMPLEPREP_SUMMARY            	pipetting was done using Integra MINI 96 (Integra Biosciences).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Metabolomics Negative
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	5% ACN 95% Water 1mM Ammonium Acetate
CH:SOLVENT_B                     	95% ACN 5% Water 1mM Ammonium Acetate
CH:FLOW_GRADIENT                 	0 min - 0.45 ml/min - 0% B, 0.5 min - 0.45ml/min - 0% B, 1.1 min - 0.45ml/min -
CH:FLOW_GRADIENT                 	100% B, 2.75 min - 0.45ml/min - 100% B, 3 min - 0.45ml/min - 0% B, 5min -
CH:FLOW_GRADIENT                 	0.45ml/min - 0%B
CH:FLOW_RATE                     	0.45 ml/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Software for Feature Assignments - El-Maven
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	DS1-123-002	DS1-123-004	DS1-123-006	DS1-123-008	DS1-123-009	DS1-123-010	DS1-123-012	DS1-123-013	DS1-123-016	DS1-123-017	DS1-123-019	DS1-123-020	DS1-123-022	DS1-123-023	DS1-123-024	DS1-123-026	DS1-123-029	DS1-123-030	DS1-123-033	DS1-123-034	DS1-123-036	DS1-123-038	DS1-123-040	DS1-123-041	DS1-123-044	DS1-123-045	DS1-123-047	DS1-123-048	DS1-123-049	DS1-123-052	DS1-123-053	DS1-123-054	DS1-123-055	DS1-123-056	DS1-123-059	DS1-123-060	DS1-123-061	DS1-123-062	DS1-123-064	DS1-123-065	DS1-123-066	DS1-123-067	DS1-123-068	DS1-123-069	DS1-123-074	DS1-123-075	DS1-123-077	DS1-123-078	DS1-123-079	DS1-123-082	DS1-123-084	DS1-123-086	DS1-123-088	DS1-123-089	DS1-123-090	DS1-123-091	DS1-123-092	DS1-123-095	DS1-123-096	DS1-123-097	DS1-123-098	DS1-123-101	DS1-123-104	DS1-123-107	DS1-123-108	DS1-123-110	DS1-123-112	DS1-123-113	DS1-123-115	DS1-123-118	DS1-123-119	DS1-123-120	DS1-123-121	DS1-123-122	DS1-123-126	DS1-123-128	DS1-123-129	DS1-123-132	DS1-123-135	DS1-123-137	DS1-123-138	DS1-123-140	DS1-123-141	DS1-123-143	DS1-123-144	DS1-123-147	DS1-123-149	DS1-123-150	DS1-123-151	DS1-123-152	DS1-123-153	DS1-123-154	DS1-123-155	DS1-123-156
Factors	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:FU6	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:REND	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:FU9	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:FU6	TIMEPOINT:FU9	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:START	TIMEPOINT:FU12	TIMEPOINT:FU1	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU12	TIMEPOINT:START	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:REND	TIMEPOINT:FU9	TIMEPOINT:FU6	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU1	TIMEPOINT:START	TIMEPOINT:FU3	TIMEPOINT:REND	TIMEPOINT:FU1	TIMEPOINT:FU12	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU3	TIMEPOINT:FU9	TIMEPOINT:FU3	TIMEPOINT:FU9
L-aspartate	3104779.25	1614111.62	2019361.38	2554667.75	1334456.62	2110215.25	1494458.62	1546051.62	2092116.62	1552801.38	1917534.38	1308135.38	1640933.62	1264182.88	1884845.12	1704949.38	1780475.62	1284378.38	1320888.62	1822494	1670615.38	1382411.62	2647713.5	1324036.88	1338915.38	165539.39	1091047.88	1065566.88	1834055.12	2235281	1329284.88	1873220.12	1324840	2513143.75	1320541.5	1597223.38	2490919.75	1780651.88	1629708.38	1677652.5	2352540.25	2907014.25	2752882	2958243.75	2045886.62	1712270.5	1593245.62	2624292.75	2045592.62	3110988	2460837	7156081.5	4985274	2344056.75	2053328.88	2417308.75	1937990.5	4335300	3205322.75	3092433.25	2095517.5	2128885.25	4181532.75	1873907.38	2683533	2417514.75	4487058.5	2293962.75	2419923.25	2977548.25	1941794.88	1753652.12	3082870.25	3551753.25	3078767.75	2753954.25	1286711.12	3430059.75	2913492	5704623.5	1316377.12	1982708.62	2320697.75	1272448.12	1576818.38	2574078.75	2003713.88	1271578.12	1514371.62	1303816	1227713.62	1785523.5	1288980.12	1875853
L-cysteine	224579.89	336847.12	311286.88	290033.34	382010	204142.19	323278.09	213057.67	205217.94	199434.77	208542.77	197473.45	203913.58	306305.97	234988.17	226091.42	201900.31	292601.69	248183.39	337724.16	345175.12	290118.91	424842.62	349082.84	306982.62	0	376816.91	268697.75	393709.62	242197.7	318959.72	367336.16	306852.53	259408.94	258464.88	305154	272256.53	375940.28	296597.66	270602.78	186173.55	312037.5	324176.22	276228.19	321516.97	318352.47	322265.97	359182.91	288680.25	433477.72	303569.59	301449.5	321944.81	254268.19	316856.72	400975.66	499586.88	353493.53	556193.88	440820.88	380156.25	360026.34	376734.22	317537.88	491932.91	325590.41	381764.22	421167.66	319953.59	310043.91	418037.91	381685.91	296621.38	221320.55	283735.59	410275.16	227633.17	258784.19	248657	368203.28	250855.58	339243.34	258548.38	259936.81	270851.88	302992.44	284683.16	388612.09	332268.31	459290.84	412976.22	377013.28	370640	373392.5
glycine	769255.56	429650.41	584265.81	507682.59	558013.06	738600.06	465646.09	537606.56	610576.5	648659.81	685932.38	546889.25	669781.19	732495	720567.31	622811.56	674166.62	628628.81	616469.25	668865.62	1013455.25	771351.19	1280926.75	721879	715115.69	229247.08	722882.44	860383.81	1219965.38	732234.75	855009.19	999110.5	883564.19	584611.44	673695.75	527203.56	651154.19	1347552.5	980947	705594.5	750330.5	734588.06	665918.56	390313.38	803262.44	737842.44	796784.06	665016.69	724234.31	951260.81	492095	773392.25	889086.81	716666.31	738146.06	793605.94	719242.5	734600.69	716008.56	715510	679814.06	611459.31	616823.94	988795.94	882688.56	742919.94	947505.69	891625.31	734114.69	639477.5	862513.31	613386.31	824014.44	660725.88	969097.75	692852.19	609185.62	765028.44	697731.69	500201.91	830692	648981.31	658317	628451.81	677469.44	675849.94	675168.56	670996.69	507668	651908.31	779393.31	747857.19	652662.19	840455.94
L-histidine	3737208.75	5480944.5	5912528.5	5459490.5	4028066	4171444	5168806	4491880	3975978.75	3753844.75	5133845.5	3471119.25	3401739	4732065.5	5022341.5	4078718	5107045.5	5277652.5	6074971.5	4624194	3818021	4293835.5	4871351	5155934.5	4354059.5	740001.75	4931901.5	4087861	4626053.5	4370909.5	4597850.5	5096278.5	5061730.5	3760050	3822624	3649086.75	4805780	4976930.5	3786958.75	4762316	4558168	5029425	4127563.25	2811100	4198547.5	3805440.25	4762942.5	5632298.5	4511327.5	4307097.5	4079524	3481290	4465448.5	5038466.5	4976938	6161956	6215001.5	6232210.5	4898548	4424497.5	4678725.5	5272984	4664333	4430357.5	5229068	3693869	5154858	6257407.5	4478210	3816016.75	5688173.5	4656632.5	4392090.5	4768727.5	5117140	4360764.5	5032743.5	5266654.5	4895293.5	4635812.5	4994824.5	5756576.5	5312496.5	5231046.5	5524787.5	5319570	4620154.5	4162620	3680806	5855048.5	5047706.5	4427758	5018076	4526807.5
L-serine	721241	802104.81	771207.5	869322	877683.5	815492.31	802448.5	750487.25	678397.56	1078671	763394.81	585068.81	591526.31	641222.56	777076.69	827054.06	792061.19	857407.81	684410.62	642125.88	758962.44	804684.75	641521.5	882776.94	646054.75	33169.38	799337.19	746921.06	923773.75	965167.31	734422.06	759659.06	812171.75	890862.81	921994.44	981366.5	888451	830292.31	756517.56	859039.5	679671.06	793059	707696.31	474942.75	915744.69	545582.81	917539.19	693285.81	880562	801522.31	476370.72	873175.56	1025213	857240.75	625221.06	702614.81	866570.5	947823.81	779087.75	727729.44	705798.44	716711	719472	902985.31	815945	635696.5	969291.81	888813.06	761034.81	623813.25	672357.44	750037.31	1198122.38	840732.06	1085787.62	795873.25	783226.56	922134	691474.19	689560.94	708184.5	757044.19	508552.84	641983.62	545485	636586.19	688127.44	708272.31	785376.56	733173.44	964958.75	589903.19	607853.31	816370.69
L-threonine	1698805	2286759	2228133.25	2037037.12	1933203.38	2428353.75	2063409	1628473.38	1312408.62	2026958.12	2075866.88	1478391	1891671.12	1806592.5	2287476.75	2501561.75	2273149.75	2129538.5	2277124.75	2400325.5	1816983.62	1851750	3040449.25	2326055.25	2486733	398049	2760088.75	1952658.38	3101635.75	2701506.75	1970547.62	2855479.75	2677956	1925873.38	2623424.75	2468836.75	2129618.75	3133451.25	3268844.75	2456477.25	2443233.75	2427920	1750670	1046431.19	2098753.25	1671157.88	2393423.75	1742874.38	2300126.25	2091558	1439808.5	2654526	2842536	2335459.75	2374970.25	1743652.38	2999753	3114590	2391190.75	1780754.38	1984289.88	1456639.38	1514468.38	3291577	2709530	2868784	2918864.75	3049489.25	1842119.12	1546274.38	2371672.75	1818125	2698520.75	2153334.75	2922126.75	1819866.38	2141978.25	2475248.75	3318828.75	1139832.5	3165523.75	2013667.62	2093718.88	1969150.38	2326491	3010149.25	2043836.12	2515197	2049791.12	2050582.62	2044846.62	1884456.5	2811342	1733388.62
L-cystine	3220433	4639977	5207504.5	4067198.75	5446156	3224127.75	4782592.5	3923268	2711441.75	3524020	2022781.62	2829137.75	3242088	4872510	3277646.25	3455678.25	3344387.25	4694350	4067362.75	5440253.5	5236823	4509785	6545906	5184146	4621933.5	182691.58	5606178.5	4355139.5	5989596	3578833.75	4794082	5416819	4587631.5	4025608.75	3652270.25	4413759	4131371.25	5388570	4304578	3595332	3250550.75	5111196.5	4770610	4205692.5	4931971.5	4774172	4680135.5	5257792.5	4121932.75	6817469.5	4903139.5	4546146	4737661.5	3875129	4327982.5	5816212	7411822.5	5508276.5	7621679.5	6529051.5	5771097.5	5624991.5	5441896.5	4228435.5	8240519.5	4805727.5	5765032.5	5949017.5	5711092.5	4973117.5	6053014.5	5592478	4716428.5	3074787.75	4890395.5	6053594.5	3573370.25	3996870.25	4250300	5370368	4170102	4507876.5	4313182	4022787.25	4314170	4383410.5	4070104.75	5258982	5513991.5	6717555.5	6098170	5862596	5381296.5	6002846.5
ATP	18025.15	0	14682.95	0	28010.04	28791.88	34035.58	0	15602.36	32053.07	15390.18	17168.59	27531.17	0	37412.82	29019.57	17492.49	20728.61	27559.35	27380.63	14865.88	17220.34	22576.58	40189.36	16195.9	93162.94	21233.95	14555.09	27780.84	12727.9	28540.9	0	0	17798.5	17056.06	22420.58	28175.76	0	0	19238.07	27227.5	19354.53	17148.31	16259.04	18261.38	20816.2	0	25559.57	0	21055.87	23055.9	14532.14	10385.49	14838.1	15287.91	0	14720.38	17728.75	24513.34	0	0	25071.78	33948.07	12012.05	0	0	0	0	23681.86	0	31622.01	18921.9	16116.73	14261.23	20082.31	27806.16	23087.07	19022.81	7161.37	0	2629.84	20913.24	13663.91	22049.52	15521.46	17117.04	0	15443.23	24281.13	0	14861.82	18892.02	33882.86	0
dAMP	0	20375.8	0	23908.25	45385.16	57039.05	24522.84	0	27583.91	22553.03	24332.84	29376.43	14784.96	53699.54	28481.9	0	102511.16	47891.18	32454.7	46263.01	44886.41	61131.61	53714.72	46705.04	45535.5	0	41753.98	61123.67	92184.75	0	49126.46	0	22958.72	13529.73	0	61946.32	29947.28	56943.88	25779.04	16966.46	0	47544.94	28247.89	0	64520.8	102251.35	0	26515.12	38436.89	30995.72	21947.83	64360.7	15041.38	0	70812.07	49083.86	24734.55	65971.95	77035.68	34952.21	0	72497.52	27450.97	33882.69	39151.35	0	126221.04	26627.46	0	22444.87	52905.18	0	48540.35	0	57098.79	25529.99	44471.01	21403.44	43467.87	18407.21	18743.29	35418.48	26238.16	27944.56	46320.63	0	0	0	117108.65	0	67722.91	49847.83	0	97117.98
Adenine	43804.03	161602.38	115073.77	116734.31	410768.75	27948.02	260630.05	486206.72	129853.09	367401.12	438123.91	308799.94	289002.78	639153.56	278809.34	207241.7	135000.42	396054.03	411064.88	354862.84	512952.91	388370.84	322589.72	509071.34	287675.84	138602.02	557484.69	469916.59	427125.16	551429.69	577755.31	557797.06	480736.75	544016.06	404139.88	375499.62	410562.75	442879.25	460151.66	375498.16	412507.78	65510.05	36646.36	200839.61	284929.25	185090.44	281534.28	130699.04	205481.75	171612.12	404270.12	98502.31	89909.55	175702.55	121947.82	174686.86	368501.84	31063.74	457463.12	28153.62	390554.75	356211.22	105262.4	203654.92	105868.38	482355.53	238116.58	112573.18	230278.62	621140.19	358660	303436.16	156785.17	87701.2	85339.24	36473.11	405665.25	97111.34	252626.95	95193.57	773839.75	526762.31	306575.28	344403.66	522627.28	346395.34	502235.72	395574.34	559758.19	403864.59	397265.25	561506.56	333148.88	464723.5
CTP	17072.17	39155.52	32848.83	41980.54	11258.34	38334.16	19350.45	19215.71	28826.4	41451.65	30604.48	17162.53	22895.18	20170.76	29486.67	23617.95	30821.21	37213.96	20015.3	26523.05	21183.11	37356.06	32261.83	49647.39	27104.91	17968.56	17071.21	21825.41	38058.5	15700.59	16985.22	38177.87	31909.6	27738.15	30873.2	33115.21	18479.57	33011.76	19467.37	29415.26	46143.31	18551.33	30451.12	26058.38	30465.6	33439.2	13436.24	22555.47	28066.6	31957.99	29582.52	16847.53	23922.09	26679.45	36135.99	9523.3	17721.84	32738.19	31643.56	30653.16	20133.37	22489.32	16791.07	51372.63	62566.75	24265.3	19128.58	16822.78	28340.01	26319.11	32166.5	33104.39	13454.53	27695.9	20422.54	21552.76	32016.94	24381.78	51026.36	37212.05	66992.19	28480.27	28673.01	30328.9	36698.18	19686.47	40159.97	26949.57	20143.15	62273.44	21901.25	57105.16	18263.54	19230.27
dCMP	0	78552.48	25894.24	81660.56	59637.04	93522.19	52186.43	24198.98	16210.3	76175.13	102397.34	21958.17	97324.2	36918.49	34548.95	47800.05	57210.62	136529.77	27390.96	110709.78	82647.1	31636.23	70771.53	82496.76	51828.37	13399.75	63492.17	27393.78	38818.21	91946.77	65835.9	26180.06	135929.83	73034.21	41282.65	67750.16	66048.35	37015.96	30029.08	55133.36	28548.75	68171.12	24884.37	24813.81	18230.21	67942.2	43241.12	0	35518.59	50648.13	52409.84	37249.75	68548.09	28468.26	66331.02	42686.42	60458.45	22239.78	100297.95	20508.68	40851.67	129238.66	49776.85	0	62242.59	68395.79	51842.87	57277.84	38413.89	22771.48	25704.25	86951.66	53829.48	28075.85	83517.86	99210.76	26525.67	56878.97	60819.28	62491.52	103703.12	98045.43	54891.36	126982.31	50131.93	35513.98	64358.11	28674.59	84379.05	0	34889.98	26593.73	88942.05	71347.83
Thymidine	54766.39	68764.38	72763.16	38918.58	45217.89	65210.93	122200.28	15892.91	121963.29	76346.98	85533.52	35106.17	50066.83	59379.82	45963.45	28630.63	65349.77	29717.23	63054.82	63742.43	110576.55	56704.98	85557.85	38772.47	59598.8	79397.66	39318.29	28388.64	25810.65	23448.12	49472.62	49856.21	34287.59	26553.85	91009.07	77753.47	32487.61	57380.61	43299.06	36596.91	43563.04	58074	28928.51	101180.16	98378.84	74007.98	95832.56	163874.09	35166.82	144166.38	20537	100238.25	27101.13	155348.59	31884.71	82759.44	183396.06	75080.96	76420.19	26637.05	94656.05	47728.04	45628.45	83379.18	140512.08	14643.74	60549.31	48935.98	69335.88	33408.89	33322.49	122219.91	88575.32	28727.57	110377.49	27287.08	58786.86	79487.8	22326.01	93835.19	101866.9	63808.27	38470.25	60807.75	24158.47	22613.09	50746.86	53428.67	88373.96	39710.03	42180.84	70963.82	58367.04	75615.27
UDP	1209163.5	1064005.62	954768.31	1102328.88	1044968.75	1085199.38	990431.5	1426843.38	1289228.62	984025.69	1360332.5	998075.31	1374864	1229138.62	1120886.62	1180804.12	1002991.5	900433.81	1209563.5	1118579.88	1289716.5	1372516.75	1023068.19	1361437	1339171.12	966461.44	1293878.5	1241418	1110821.88	1401887.12	1404043	1291076.88	1303701.88	1529428	1363592.88	859652.75	1280792.88	1228797	1214295.88	1188327.88	1162001.62	1228600.12	1362836.75	1125247.5	1068482.12	1130740.25	1197396.38	1419457	1315673.5	1367844.5	1257809.5	1123211.88	1218698.12	1086179.38	1337132.75	973964	1317978	1208199	1247130.75	1263304.25	1502068.12	1077712.38	1452003	1101765.5	1283518	1099170.62	1120074	1373577.88	1365832.88	888517.31	1290877.12	1075019	1148717.62	988746.31	1067880.38	1233335.88	1176263.5	1336979.88	1303501.38	1157868.88	1236943.38	1156595.38	1030876.94	765114.5	970629.81	839447.25	1131570.62	904430.31	1130247.62	1208960.62	1047473.81	1233517.62	825705.31	1131476.25
Uracil	43786.43	16381.27	35290.14	15589.17	31938.94	36500.51	107972.03	57002.11	48528.62	33716.2	22832.8	22893.99	28908.21	41889.84	28248.16	16620.29	37824.41	27479.37	25453.19	26826.2	32889.05	23108.78	45384.53	39651.43	67864.55	39230.96	38708.68	59160.75	25639.85	33450.44	26242.12	43631.61	33234.61	47368.32	30574.98	20920.92	40419.7	42817.06	40995.25	41863.29	38522.68	25974.01	33205.45	25819.05	26864.34	34648.91	32479.16	32329.73	17666.95	37269.08	53332.38	32949.21	19154.11	36047.13	26739.77	24762.49	44445.29	31686.66	54015.83	22061.36	41403.73	25821.85	23669.89	65958.82	55420.25	33197.39	44438.02	41506.34	49093.4	46048.18	42882.8	15424.26	25483.06	38458.43	23732.94	45678.59	19353.72	40620.18	40293.42	32353.93	85233.23	64190.87	15641.97	31933.34	39271.83	36151.18	56043	27659.46	47284.09	42038.3	35339.43	39125.6	24995.73	24066.11
Urate	29498834	32852150	40008444	30916496	32949402	26590246	33513370	43121020	17795492	26168350	38181920	29313942	23893296	33687200	20691422	30911042	20017270	34899668	35563020	21314018	25720346	21759158	37713892	18380172	19151610	3906719	14691259	24512890	31803514	23944334	17966658	28628886	20521670	26341094	18061054	11601324	32557098	33433398	13743656	21793990	26632418	31585894	33182666	35277712	28410118	22204928	26952586	26718910	23246018	37287284	44117964	41509560	26786800	29233962	29502184	30532922	31494586	27557246	36932348	32134950	24286894	34501940	36773408	21390308	36206304	29368880	39367188	37064072	35655528	36936044	33733924	39191600	29003224	22355600	23332866	32530050	25318512	25617978	22299592	42487140	20698304	34504492	27006606	29036256	23023082	24273410	26260102	30457542	22486474	39541364	33829964	34302980	20536332	28674254
5-Hydroxyisourate	2756889.75	2315209.25	2845778.75	2173312.25	2056171.38	2506928.25	1652388.5	2168537.25	1422259	1660013.12	2295832.75	2403589	1530892.62	2296238	1551537.5	2843221.75	1414024.62	2384284.75	2803494	1150806.25	1468480.62	1363959.12	2235316.75	1064158.38	1332618.88	25817.14	1085287.88	1438838.88	1840619	2459308.5	1090182.12	2525008	1249320.12	2702245.75	1527657.5	1087307.12	2961967	2362524.25	1040315.31	2156178	2332637.25	2472332.25	2275864.25	3269728.75	2721390.25	1912215	2256489	1838137.38	1935190.5	1939502	2486643.75	3376395	2041498.5	2091941.5	1971268	2238106.75	2666302	2297667.5	2647499.25	2143140.25	2163782	1906569.62	2545855.75	1570215.62	2326987.25	2523719.5	2831923.75	2845734	1737701.5	2867875	2189134.25	2052806.62	2395851.75	1985284.38	1889171	1766143.62	2044660.38	2345955.75	1523325.88	2540034.75	1517715	2441427	1383140.88	1821187.12	1316654.38	1564138.38	1618244.62	2919749.75	1764641.88	2599507.5	2143722.25	2077440.62	1421048.62	1217149.5
(S)(+)-Allantoin	176753.25	19150.31	92221.34	30047	65607.79	91121.98	65241.22	26815.93	15507.16	53438.08	40256.68	88853.56	25311.29	33816.92	12372.79	44267.28	88297.29	37901.59	61033.55	28826.34	18687.68	12281.1	29859.07	18424.66	21115.79	4478.45	22205.2	27555.6	18510.61	57790.89	26315.06	33761.84	45136.45	24220.62	19130.63	21738.91	28324.67	86082.04	16548.97	20440.87	24335.5	80324.62	57530.33	64330.04	132720.02	41426.73	96335.59	38460.42	11475.13	19393.56	66899.47	122949.7	49627.21	93203.96	37568.23	27851.41	106845.88	250853.98	89277.48	23933.52	143853.8	27274.43	48779.46	15534.17	200059.08	61841.47	68611.5	119954.21	19933.51	30749.34	38010.03	32958.67	53426.19	72823.19	95764.88	32525.11	30365.86	31451.29	19404.07	29515.78	15861.22	86357.38	46185.92	17485.07	22688.33	42570.23	21990.71	43839.27	17702.35	43525.59	18075.02	38940.77	20094.24	40206.81
2',3'-Cyclic CMP	165470.67	236044.39	241843.5	224284.2	343344.12	89689.16	240940.27	158433.05	124506.12	160831.17	100833.52	142950.55	96766.15	162262.2	163582.22	59089.49	263563.59	209479.62	116164.21	214912.95	133059.42	166111.45	279668.84	219257.11	152686.67	36810.46	263105.25	164318.05	281664.47	178286.5	213845.48	165620.27	205405.14	163745.81	151508.95	185899.64	151088.14	179483.33	201326.23	177536.92	222934.8	128680.12	145818.19	129595.6	180992.06	190781.25	111171.52	230863.05	198843.7	131300.3	340175.5	221421.36	192473	238111.27	225428.92	254650.31	106164.28	189787.45	198058	94638.62	121350.41	201613.61	146904.2	203193.23	251732.81	228193.94	216836.64	291719.78	181398.08	227810.94	207688.17	203316.42	238485.42	87267.05	167592.08	225410.39	224852.86	115668.09	181648.7	160694.11	78119.43	321630.69	245684.2	208105.33	220075.92	194050.92	145821.17	230683.77	140250.98	173713.53	227998.62	182179.38	162428.45	263467.78
Pyridoxamine 5'-phosphate	0	83977.68	17768.99	121768.13	99298.74	0	131406.3	9502.84	0	126314.2	30350.82	41162.08	8576.35	36256.62	0	24752.53	10595.93	100052.31	11517.1	20569.96	0	0	0	2807.42	5658.01	17234.7	0	0	0	34031.63	0	11897.12	9196.33	17096.36	4574.95	0	19645.96	42185.03	3345.11	0	30173.3	17410.46	0	50259.14	17166.24	17810.59	0	0	0	48380.68	47541.11	77241.72	0	62152.96	0	65559.79	0	85691.88	11946.91	73941.65	61487.94	0	0	4206.11	85504.01	0	30218.04	41994.48	5971.55	34079.81	16364.75	3550.96	4954.9	43560.22	0	68594.75	46098.91	0	0	131962.28	0	29867.97	0	58154.23	0	0	0	13466.2	51630.8	17827.24	0	0	18692.54	0
UDP-glucose	4683.27	0	22709.09	23051.13	36176.22	6280.07	6789.93	8614.44	14392.18	4748.14	15247.46	0	17523.69	18711.47	17361.16	22425.56	14646.08	16660.2	20247.84	4527.6	0	0	14417.14	14077.62	15350.03	18983.11	20960.44	0	20302.66	14068.28	32520.06	24461.38	16091.12	16132.77	13052.73	10161.59	36480.14	0	43558.77	0	19737.66	29567.08	14037.52	12923.99	11716.05	18793.47	0	18477.6	0	19692.24	18598	21230.87	0	0	15232.06	3431.16	3292.36	16209.84	18621.56	18565.03	36858.73	14986.8	9662.74	10089.91	1343.88	17483.22	14524.6	19832.52	22198.99	13315.17	0	0	6948.89	0	17495.25	15134.15	14654.92	23468.4	13001.33	0	0	2493.43	15995.29	0	0	0	7679.99	10941.66	18861.2	13750.33	21228.61	0	32298.69	24709.6
NAD+	47348.35	58278.72	49503.67	26436.44	0	40159.27	26568.78	32687.33	0	0	0	45886.48	0	18307.39	33295.82	27205.64	56871.42	20682.5	71981.52	49280.61	63692.84	47382.06	0	35491.89	0	18631.31	18794.37	20397.53	0	0	48676	25529.41	0	56565.5	17870.51	34484.93	64884.89	76786.89	0	30212.05	40278.94	0	18295.5	25946.08	25902.09	0	0	0	0	44517.04	18518.2	14385.69	71260.76	33440.04	25189.72	20263.41	28617.86	0	38832.86	25787.69	0	47166.81	0	0	0	0	0	0	0	0	25824.12	30889.34	44460.07	35405.65	56461.62	0	50852.82	60491.58	30891.47	51343.43	0	18188.57	0	91866.75	0	0	19339.61	20412.51	17221.28	7876.95	0	0	32404.35	0
NADH	9800.68	0	0	9973.84	0	0	0	0	0	19486.13	0	0	0	0	0	0	0	0	0	0	0	12949.61	0	18965.61	0	0	16101.08	11906.78	37387.81	0	20967.82	26370.02	31819.29	0	0	0	0	22043.47	16046.77	19204.71	0	0	17575.23	0	0	13190.34	0	0	23398.87	0	45594.08	19364.64	0	0	0	0	25362.93	0	0	0	0	14431.38	0	0	0	28912.09	0	25545.8	21094.95	0	21775.93	0	0	14581.05	0	24894.48	0	19281.9	19514.46	0	0	0	0	0	18409.06	0	16770.64	16324.25	0	0	0	0	9661.46	0
Phosphate	2968730.25	2403875.75	1034861.69	2079231	1554882	2363304.25	2832191.25	3701734.75	6016928	3097952.75	7518719.5	2126812.75	3031562	4439490	8098078.5	1936288.5	4011076.25	3002906.25	6069689.5	6280750.5	2878655.25	2771095	2703614.25	4508726	9374799	368903.66	3417113	3075351.25	1086583.38	4081631	5565601.5	4967181.5	7715411.5	4548522.5	6232876	3378032.25	3721438.25	4045121.25	3397706	7246294.5	6850479.5	4594221.5	5433362.5	4012063.25	1656216.38	5671864	4855336	5914026.5	4811975	11039663	8235096	4611568.5	9312215	2390404.25	5190217.5	7719766	5933444.5	4325235.5	7074628.5	7917422.5	5894052	4198065.5	3543453.25	3784488	5676845.5	5370415.5	8769773	4216374	5463556	8258550.5	13132191	4204487.5	3600412	4721599	7949789.5	12675445	7011007.5	5831808.5	3349610.75	10815617	3155331	2265534.75	2474687.5	6219571.5	1565965.38	2292138.75	3172825.25	2442097.25	2934046.25	4803127.5	3730096	8784086	12851479	3560787
D-Glucose	42834692	49497900	52465260	52497356	48225540	55086208	56275996	51001828	55362352	64769808	53099756	51644448	53003104	55034548	42136588	46877228	46642288	70144696	55205748	51110768	67838208	46973492	46047700	49178804	42781200	37354652	51015068	54611156	47035332	48935840	47936512	45019060	65203456	45299900	50253500	46661652	49281068	35548356	53421104	50766084	48420464	47662828	55195328	54474780	52105492	48244224	52066268	78570616	46799148	56260492	50364620	46616320	42444112	50200028	49961388	47568276	67226128	57236032	53722980	46858964	59700640	58540340	49256076	47496416	55310892	43061780	54381044	48705184	59473900	42071408	45262084	50786164	56083012	43970816	52448276	48743892	59543052	48254444	43528404	39867412	52130212	51813652	50764684	59727876	44033580	40932824	43483500	52137412	58987056	47522868	44413436	46126252	50008436	55387840
D-Hexose-phosphate	205451.7	194447.94	230555.92	254934.42	195874.89	184293.33	236341	235371.67	213948.55	247864.48	308516.91	144964.08	149779.88	208434.88	243431.92	152770.39	202283.95	199353.08	230339.06	259515.3	203280.17	172922.31	233192	167540.62	319931.84	197778.8	164375.69	164427.14	139832.52	212118.3	184004.94	167228.36	277524.16	201340.89	198491.12	173135.78	241629.27	209274.77	172035.97	194709.44	254894.08	212752.5	368440.09	211517.06	158867	148694.33	156318.39	288434.5	319947.84	282925.38	272214.69	453475.47	365620.28	201103.36	172486.02	157547.52	187381.73	304333.06	249677.06	317231.69	242834.58	242048.06	387701.25	256358.12	220484.14	310652.03	233839.62	208822.81	236557.39	177239.77	223331.33	194144.89	149551.55	334959.12	186614.62	323776.72	170825.03	191776.83	456750.25	492327.41	170762.94	202055.38	268725.66	267456.38	136754.97	216151.19	265258.78	178204.3	218781.08	326553.84	191901.88	249689.23	265863.25	161543.69
D-Fructose 1-6-bisphosphate	31334.28	50251.37	33001.97	85659.96	59556.05	98307.79	0	100135.09	0	0	42179.41	0	108022.95	31353.52	27018.14	0	0	36162.58	63440.07	49053.45	0	29220.03	29964.21	0	0	0	0	28718.34	115105.05	70467.66	0	77273.88	38818.87	73823.99	0	0	45243.59	0	0	0	33306.4	0	61649.14	41460.07	0	0	23762.34	0	0	55918.14	28652.2	116612.62	0	0	0	25832.6	57296.75	33001.39	94526.56	36418.88	0	69487.88	46684.91	0	82214.48	36735.14	111945.06	0	48451.75	24430.51	103436.22	87904.46	0	0	0	35746.95	0	0	0	0	45465.77	35229.78	26435.79	52724.88	0	0	60066.11	40793.07	0	0	34063.68	0	0	29997.59
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	3238.53	16133.63	16161.83	45008.01	27681.96	0	0	7618.15	0	8574.95	10939.02	3096.93	0	17705.44	37361.09	19496.76	10949.7	0	9743.44	0	3112.19	14899.21	8674.12	0	0	0	9076.63	0	0	5939.96	8764.28	21327.36	11785.23	4798.77	10134.08	4195.47	11415.23	6391.42	0	3507.57	18027.24	6937.98	18873.57	3933.13	17487.64	9354.32	7403.76	10651.01	8489.11	9025.34	21276.38	1451.03	5171.84	3476.45	1943.43	3616.16	0	0	12625.7	0	13801.19	13673.19	11887.08	28500.27	0	14410.06	31367.48	3223.69	0	2770.47	0	0	13766.63	18534.67	18033.05	2429.95	0	14785.41	38980.05	17462.55	12476.98	36563.04	7432.72	9692.02	0	0	0	9462	10856.92	30882.97	11192.47	8039.77	31113.41	6033.82
1-3-Bisphosphoglycerate	42417.79	20979.75	26079.83	46038.51	43081.75	17146.87	26901.21	53638.01	34986.11	50973.57	53985.29	28831.47	43650.31	17260.81	47953.9	21923.11	31801.31	25793.41	68441	22598.49	22872.17	26124.37	64076.77	25024.13	48532.6	41304.41	43193.05	35129.35	44148.78	43334.72	24481.48	30873.79	45575.46	22274.21	25297.5	26463.85	47247.28	29966.12	69626.96	28302.72	32663.71	42084.86	65161.25	41227.43	28498.44	43343.99	21959.15	56299.72	46872.58	25036.4	43698.31	37573.61	24801.36	23861.76	62957.48	41617.02	26136.6	42585.6	26192.62	25085.54	85055.3	66629.34	51651.12	69025.71	60317.44	26134.02	21257.17	39644.9	52078.28	46017.99	33668.35	59796.06	24629.61	51394.57	36380.17	50368.73	61486.9	44843.96	28619.77	29735.34	42779.75	31932.39	41256.38	30474.31	28666.23	32018.19	26787.73	65858.32	23182.23	51802.96	46279.78	58921.39	58864.71	41697.24
2/3-Phospho-D-glycerate	1896.97	0	11411	22587.48	2497.34	6997.82	13564.91	7605.94	0	39498.2	0	1155.1	1412.45	1640.59	14479.07	0	0	9015.49	1929.83	46013.61	8044.07	0	10967.93	0	26082.4	0	10353.24	0	0	7689.52	0	0	9533.23	10962.36	9567.39	0	10214.25	8017.98	7624.06	0	7134.63	0	66441.46	10031.39	6140.52	0	6725.92	0	67283.79	5831.62	12933.16	26264.35	23665.63	0	0	4438.16	16652.26	15972.03	12358.21	41686.1	18732.55	10235.55	0	7454.03	10987.35	3063.74	19118.93	0	11886.96	0	3869.88	0	4615.31	23215.23	2113.57	59034.14	8307.34	8400.08	50434.12	13556.83	2019.28	6826.73	0	1635.18	0	0	11589	0	9516.29	8389.53	0	1556.13	0	2118.72
Pyruvate	3993909.25	4456118	4995754.5	5122985.5	4262690.5	6020625.5	5372441.5	4443855.5	5988531.5	6138107.5	4685500	5707048	5537420	8265674.5	4635325.5	6771324.5	7109769.5	9495025	6332920	6640203.5	7283552	3276107	5026669.5	5033979.5	6869445.5	7124463.5	5330600.5	5029350	7702453.5	6498510.5	4215155.5	4937842.5	11643371	4281427.5	5720902.5	4062671.25	4685535.5	6056763.5	5682430.5	4100293	7154876.5	5338565	5371281.5	4433340.5	5583469	6819744.5	5815733.5	10885020	3700695.25	8343285.5	5173368	5504533.5	4968011.5	4861236.5	2758463	5643638.5	6747633.5	13152693	8310785.5	4820224.5	5999208	5388051.5	2769563	4435374	6115084	5126412	3238041.25	5617320	6203374.5	4407490.5	4641631	6705905.5	6066662.5	4571976.5	3991900	5902476.5	6584424	6611722	4043786	4647159.5	6460782.5	5427411.5	11272588	6159668	8202245.5	5557754.5	5198904	4402885.5	5471593.5	4162070	5386038	6749006	7610921.5	4444793.5
Lactate	52251828	44392852	48524880	68215720	34195988	64472508	56863812	47193508	57215604	50865836	51782016	48675156	47973792	57574164	53735756	59858800	62226176	66265820	61617524	65289712	61772788	44715220	65089696	49775228	54699428	53730896	45125744	41552196	68281824	53364980	42158864	42910976	68408424	45530660	40501612	41961600	41859412	63632612	61138592	36632228	61225612	75492264	55872512	52501332	45291444	49161248	57444704	99901960	40850624	64358832	68028352	70287352	53850084	64919460	42512124	47688576	47414900	123498968	60022832	51974900	61666336	53712948	63661012	40815588	54574604	57855884	52711104	63943500	49059072	37708668	36476612	61335008	44238628	77418736	55746172	50485772	52292364	61096020	53573404	67004188	39182164	62213908	87109344	46226020	58278848	52358912	40414388	34869636	51610972	41728732	53863508	57488116	56499740	52528172
Maltose/Sucrose	75576.25	27374.69	37988.6	60273.96	0	60436.23	65791.54	0	15986.59	101185.41	22587.74	15881.03	29177.03	23272.03	89821.09	0	50231.66	908233.31	31948.79	34701.73	33428.36	34865.74	746596.31	15785.22	0	28464.66	232955.58	148617.55	422251.66	2040337.38	29620.79	39516.69	85318.52	57389.64	0	0	422149.47	67222.8	65661.37	33381.43	25697.98	62042.51	43859.99	64292.99	0	459529.09	25392.21	128950.23	62543.68	1192850.38	28327.65	35732.37	12967.93	125142.55	57938.07	24211.69	56572.88	64180.43	90608.55	65264.1	26873.3	24938.77	21798.61	29929.16	28258.94	33247.95	48493.5	21141.15	66488.08	92714.59	76344.62	43166.75	138876.31	3443553.75	71625.5	22599.98	129717.48	81162.98	37952.45	37080.82	29806.25	69206.22	703063.69	38586.82	175599.83	14587.42	91199.59	109626.79	109606.91	96809.38	60478.88	33440.96	59837.73	23114.12
Mannitol/Sorbitol/Glucitol/Iditol	517668.66	1037272.31	1324979	1063345	2201094.25	1033108.31	2789153.25	793839.19	6048789.5	744362.81	1254056.62	2985296.75	801670.06	4896342	883364	3282157	1366619.88	2053742.12	3674266	1400973.38	903696.56	1194569.88	986395.25	1071691.12	952029.94	13004191	999392.5	1140998.88	1125195.62	826621	950251.5	1061272.38	1107945	1503439.38	865167.94	658354.88	1082057.38	1065152.88	835415.75	906251.25	890418.31	1052842.38	981941.06	878358.5	771546.56	2677074.25	829105.19	1104807.88	930217.75	904235	1040642.31	756329.25	784246.5	852265	911459.19	1477978	1009852.56	1318382.5	1179412.38	1061162.25	904199	1054199	1274970.75	3612159.75	1022716.06	1109094.75	1056498.88	934175.44	1188956.5	969981.81	916783.56	896172.5	1568465	784332.06	2295652	843972.69	1452480.12	717410.81	822415.75	1157686.5	849629.06	962978.81	946273.81	1035374.81	835024.44	861985.19	870850.31	877420.31	2039460.88	1383936.25	1279416.62	26609760	1003710.06	968819.5
Ribose/Ribulose/Arabinose/Xylose/Xylulose	1540371.5	1393909.5	1721427.38	1550837.12	1967168.88	1946117.88	2185397.25	1695903.38	2357013.25	2310624.25	1789474.38	3329203	1715969.12	1960565.88	1326192	1885891.5	2150351.25	2411072.25	2085643.12	1817614.62	2298266.75	1457992.38	1523421.62	1537019.5	1556183.38	1597369.38	1916493.5	1756830	1603558.88	1649122	1572680.62	1747287.62	2209801.5	1655781.38	1615544.12	1951375.38	1674641	1518469.38	1836772.88	1718326.88	1711572.62	1681553.12	2038387.38	1853678.5	1788810.38	1690404.38	1651312.62	2705062.25	1539867.38	1921520.5	1614506.38	1688341.62	1364202.12	1729018.38	1844994.38	2395122	3319944	2251794.5	2222966.25	3448950	1980218.5	2077675.38	1742365.5	1712488.62	1599826.12	1552051.5	1930673.12	1827231	2000860.62	3127496.75	3607639	1715142.62	2056131.38	1620997	1584602.5	3992144	2841744.25	1659250.12	1595528	5001708.5	1885622.62	2013184.38	1942070.12	3228148	1472572.62	1456863.88	1297872.12	3548766.75	1985856.62	1414134.38	1781182	1595898.5	1862749.38	2074331.62
D-Rhamnose	5308348	5995344.5	4046381.25	6093307.5	3251508.75	4402195.5	3957585.25	3677378	3824518	4576587.5	2850537.25	5210300.5	4874531.5	3726653.25	4928015.5	3739602.75	5267548.5	5711634.5	3218631.25	4769311	4928698.5	1905891.12	6110050.5	3064393.75	5311781.5	3554996.75	1332894.38	5559503.5	5344656.5	5606224	3000937.75	3240244.75	5718726	5653848	5920697.5	2564770.25	5150831.5	7252932.5	3500700.75	6515625.5	5838644	4424279.5	7486542.5	5220712	5336194.5	5006174.5	3585661	5477610	5561544.5	4904544	3996500	4086692.75	3676730	5159289	6653645.5	5544118	3483207.75	3138473.75	5195822.5	3887184.25	3172048	5717435.5	6931832	5049425.5	2872006	4608542	5003179.5	4106610	6412882	4086129.25	4999475.5	8862168	4643436.5	4411685	4787586	4544867.5	3701935.25	6624720.5	3807842.75	4128782.75	5216174	3830976	5482956	4065300.25	6163425.5	3771210.75	6102571.5	4782249.5	4154095.25	2974935	6249122	3116468.75	5817868	6514612
D-Arabitol/Xylitol/Ribitol	247926.48	302342.22	350946.16	334324.72	463912	229731.88	402193.62	242714.48	306058.34	334047.41	253006.44	375028.88	420631.84	395194.59	189798.67	308306.62	234742.8	424167.12	284558.09	330677.09	377909.16	287761.41	375248.22	390696.53	351392.59	4572716	310762.59	255067.36	510695.41	276197.59	255074.62	450284	319319.97	293123.22	327087.44	233922.92	406387.38	468597.59	263921.41	290621.03	189349.27	253464.62	425943.62	311489.78	402722.91	353596.47	398525.66	417694.66	235537.8	366784.72	466508.47	418324.91	284169.25	418955.28	455147.91	327265.09	373875.78	445092.12	482655	322891.28	336661.28	305797.09	460266.88	312010.59	425944.59	450820.09	363420.41	346890.91	322591.59	425057.34	433408.41	480796.5	324691.97	443518.72	335168.41	481988.09	356926.34	223644.86	294184.59	242114.8	385484.22	673717.31	358152.62	375279.75	276551	376659.72	412038.09	356153	361995.59	302166.91	497945.59	341606.53	411112.91	412908.53
Citrate	77395640	113486528	52321732	107733992	97751704	66747428	108434904	116879560	96238136	91063776	88227960	58328964	111161432	95445344	125663320	67587432	119442152	86184640	92721640	126453952	101424088	94441304	115840216	121610432	131127720	265864448	86465800	102159768	104364072	65850140	96148160	70499424	115637824	72317488	99550888	84408472	55551420	80288952	95170728	78379656	70901448	66552900	102680568	71744888	62195820	69972392	55263492	99390184	116495448	90028296	108097048	72099728	154526928	78353960	104283528	70520776	60803740	80690744	65539212	94311168	61523788	108859000	98965880	111550104	72081384	97907368	65264244	78773688	100401408	68338600	74267080	114132632	89177456	67072364	74002984	108223016	89679744	62094204	114447640	99331200	112159384	75451832	138854512	89650272	126945888	107401024	112973448	46727412	81802072	94230536	75103224	92477760	104275432	109736712
2-Oxoglutarate	4434035	7968157.5	9114219	7744560	9278953	4812275	6274962.5	4749481.5	4442174	5098110.5	5248195.5	4348752.5	5407664	6804714.5	5890570.5	4996680.5	6433220.5	6100523.5	4174564.25	7428820	7201740.5	4952852.5	6420701.5	5534730.5	5226067	172310.56	6447817.5	5480891.5	6151902.5	4087201	5201056	5444660.5	4701125.5	5616294.5	4802762	4000915	4391826.5	4780644	4365143	3632697	4759049.5	4482392.5	5109337.5	4537595.5	4062996.25	6866241.5	4687900	5905302.5	5454749	6064509.5	5511227.5	5155886.5	5937806.5	4067946	3840694.75	7200600	3942911	4773600.5	6764966.5	6027798.5	4862231	6021326.5	5739025.5	5891430	4615014.5	4787803.5	4368772	4571935.5	5056704.5	4543142	4738317	5931656	5063151	3320313.25	5162679	5932366	4281490	5636067.5	4570832.5	5242175.5	3899414.25	4867622	6246593.5	4660488	5254800	5061971.5	5039188	4576486.5	5902017.5	5414868.5	6323502	4356674.5	6076656.5	6848776
Succinate	830401.56	1580273.12	1573288.62	1544415.12	1978618.62	870674.25	1467511.12	977050.44	832999.56	1115252	1262757.88	777206.5	1011970.5	1401038.12	1299273.5	902925.69	1292055.5	1170241.12	1066231.5	1700317	1536099.88	1078363.62	1760645.5	1291334.62	1352471	235389.77	1303988.88	1463090	1445513.38	850111	1070317.25	1280839.75	1125905.5	1048068.5	966788.06	621252.5	951091.56	1321201.38	1049904	1070947	1575694	1409131.62	1458419.88	894855.19	610110.25	1362020.5	988532.25	1441286.12	1069503	1471525.38	1370828.38	1286812.12	1694096	1433653.62	1569697	1263205.62	675570.75	989987.19	1259148	1271732.12	1012678.75	1484883.38	1828687.38	1495030.62	1128449.38	1606873.38	1386776.88	1210615.38	1104540.62	1034201.19	1011123.25	1737388.12	1079784.88	1126916	1213807.38	1442220.5	1337977.38	1437510	1068249.12	1242895.5	1116000.88	1691547.38	1300761	1428152.88	1334310.38	1223565	1232631.38	1118974.12	1234297.5	1181808.62	1237369	970724.5	1357672.88	1332650.38
Fumarate	247179.92	418246.97	470122.75	452905.97	498071.84	404758.62	599788.44	347528.62	280529	339042.25	296316.72	274339.78	327536.38	467219.75	376448.91	356702.34	323339.31	362083.75	324814.09	380536.38	392214.97	233875.3	474246.59	353570.75	322825.16	2085421	386533.03	326834.66	446238.84	285439.34	343285.88	400229.12	307618.12	274891.81	250731.98	226416.2	244519.67	372803	263059.84	224163.67	395557.91	283207.31	354017.5	263678.03	292894.62	385427.84	282072.56	380901	293023.19	282327	443588.59	332568.78	443402.09	418784.88	297481.75	275438.53	219893.7	394253.97	264028.78	257322.94	277658.06	391652.34	391432.25	408171.72	278117.53	306157.09	214733.3	249896.55	302313.12	206326.33	205587.14	433155	347590.19	351097.34	352912.22	286632.28	343412.72	310482	332739.09	390862.25	261437.38	408755.47	388062.59	353190.09	324983.72	400082.53	315875.25	244395.08	486766.03	289953.22	341896.34	256968.69	286159.03	461758.5
Malate	3559668	5392443.5	6637765.5	6196784.5	6546642.5	5007001.5	8500343	4601101.5	3704041.25	4754938	5401562.5	3409890.75	4671899.5	7046764	5004402.5	4134132	4706465.5	4535441.5	4856039.5	5808144	4630875.5	3307680.75	6579510.5	4160359.25	4931996	354150.84	4498945.5	4443475	6145068	3687830.75	3292936.25	5482914.5	4488454.5	3411713.25	3597578	2932357.25	2610979.75	5413315.5	3290203.25	3887781.25	4907730	3956334.25	4759719.5	3562922	3334552	4570602	3264696.75	5336225.5	4507657.5	3914073.75	5804102	3793600.75	5384320	4501749.5	4485539	4174476.25	3210682.75	5300149.5	3544330	4080228	3974077.25	4910837.5	5488352.5	5499086.5	4068867.75	4240628.5	2853872	3861336.75	4120638	2521185.75	2838452.25	5633084	4532403.5	4399050	4519144	3952818.75	4492274	4276191	4745976	3684754	4428871.5	4902216.5	5381672	4510874	4173599.25	4892466	4091234	3427141.25	6452074.5	4293430.5	3862235.25	4572040.5	4407793.5	5250709.5
Oxaloacetate	74451.75	91678.59	31729.12	99411.25	109475.71	51578.94	77078.02	98275.5	85022.32	66009.69	98124.65	37238.86	111905.3	66398.87	126041.16	47132.4	95750.8	73983.23	100493.56	127657.6	92547.21	78463.23	110909.49	99542.5	95612.19	222384.38	82457.09	109011.5	131883.42	59053.71	76958.96	70672.38	130316.13	42112.99	83483.57	90278.94	44106.67	81688.54	87944.5	63529.94	39925.54	75284.4	88838.2	44754.89	45529.92	60528.79	40052.66	89731.41	91938.24	60406.27	99502.97	79197.2	103474.81	58467.07	81332.13	59019.31	98092.13	79483.38	34043.68	87682.71	45209.91	82485.35	104787.69	87737.16	82998.18	77936.16	61042.37	56330.07	87058.12	70004.81	68541.66	124300.46	80323.88	42936.71	73112.47	103235.93	77548.79	48103.6	64345.45	67323.27	89627.41	73043.07	132232.44	70703.09	95141.78	109962.45	97716.15	56063.56	72727.2	76184.09	88039.52	61583.86	85501.24	90156.38
2-Hydroxyglutarate	1326673.38	2504951	1951791.38	2401450	2695761	1583458.62	2252223.75	2438310	1990868	1941450.5	2622963.75	1459894	1975001.38	2473715	1369614.25	1578791	1893965.88	1985047.5	2264535.25	1749477.38	1267499	1622054	1766290.88	1485664.62	1097887.5	628511.56	1514755.62	1244622.62	1941875.62	1422095.38	1135159.5	1781540	1118755.38	1515624.38	1143776.62	1177209.12	1648863.5	1681629.5	1123284.88	1284178.38	1531448.5	1972504.88	1734291.5	1431491.62	1312427.88	1382114.88	1414002.62	2169343	1312380.5	2099304.75	1517084.62	1333359.12	1750863.88	1495430.12	1651539.12	1815415	1445957	2087194.62	1492830.62	2275106.25	1489588.5	1734733	1469539.38	1418601.62	1711026.62	1373320.5	1312297.25	1785622.38	1384327.12	1319383	1545411.88	1572462.62	1778288.12	1164360.5	1486465.38	1996820.62	1280629.75	1678284.88	1729899.38	2687040	1529601.5	1867826.88	2027193	1360836.25	1608220.62	1483889	1725836.62	1604285	1744143.38	2189049.25	1961493.5	2093740.38	1587200.38	1747691.38
6-Phospho-D-gluconate	85605.65	0	14150.52	127820.73	179055.89	37089.11	43978.17	153145.98	13086.13	26266.61	118452.54	0	44447.28	0	31850.12	36972.59	0	34922.1	34177.16	0	44034.97	64013.9	41695.32	14879.55	27548.81	19024.37	0	22774.7	28824.32	72606.57	27762.99	14579.79	0	57515.05	44155.99	26792.73	0	0	0	15924.08	0	24960.6	0	121949.65	0	29027.71	0	8970.63	48382.7	0	170958.89	0	96152.22	0	8671.22	33943.37	0	0	20672.87	35868.85	0	7216.71	0	13762.57	37461.64	17675.95	59970.61	16107.78	26972.35	82784.72	13321.63	31532.18	60049.06	0	0	38263.32	22618.85	71125.85	29225.01	114269.15	0	32305.56	0	0	0	19431.44	67174.02	34768.53	0	203955.06	28558.37	65434.53	12338.23	23772.83
S-Glutathionyl-L-cysteine	511688.09	515687.75	704595.31	967259.25	659504	485719.62	848640.69	447018.09	262513.75	767309.31	577810.19	601800.44	431871.38	461677.25	550613.06	528126.81	668529.38	673810.56	600612.62	757503.56	639932.56	751967.44	1069501.38	947071.31	1314921.5	0	602746.31	591185.31	793256.06	390919.38	711527	619747.62	1120699.62	472123.34	585415.38	519976.88	394729.59	1188374.88	683306.19	517314.78	426131.53	405501.09	1233928.38	493464.66	679552.44	384318.72	377144.09	534389.94	1170630.25	889094.69	855791.5	701942.5	485612.75	833586.81	662951.44	528508.31	228685.55	373024.53	589456.25	1020532.56	291911.12	769212.81	764135.31	772285.25	312958.47	930155.19	752321.69	397417	660723.06	465208.34	815369.31	927158.19	323062.78	730283.75	635084.56	1051500.75	731376.25	412375.41	1444086.12	699877.69	512640.34	737178.69	663158.25	872885.81	714674	646796.31	805431.75	783073.31	644437.06	991345.94	690025.44	577127.5	800143.44	735416.81
Cys-Gly	17977.84	12491.8	0	32770.35	12383.58	10669.93	10676.05	16240.64	0	0	19792	22139.11	0	0	9316.6	0	29596.65	11537.14	0	0	13034.26	8177.28	15294.08	30975.05	15461.42	77933.12	14699.34	19287.36	30918.19	8714.69	9972.78	20008.13	26384.01	8248.06	12238.64	7548.14	19754.67	11963.45	24579.65	16218.15	8179.9	0	17339.61	7203.65	9770.14	10071.81	15789.54	21837.87	0	25308.6	26094.49	13763.07	0	13847.03	22586.41	11520.96	0	10650.49	22274.18	26231.85	6829.78	32084.28	44968.39	21150.79	9898.96	13555.16	13532.98	268047.78	38056.97	2481.8	22519.79	29481.65	10475.03	23852.47	16283	39647.32	0	9364.36	6653.86	13926.41	16307.77	19433.1	31778.1	22305.44	9749.63	11463.71	24883.31	19933.01	50310.47	11529.93	19316.62	10696.58	16031.29	18789.25
Ascorbate	269999.41	260008.8	351896.09	324815.25	407237.84	284604.03	338358.75	6033598	3053126	267311.38	7399250.5	360075.03	4465036	5840883.5	494400.5	368217.28	2598427.75	380025.66	5028587.5	3338537.25	1817460.5	6912349.5	4319701	5256393	339382.59	57835852	3148304	8333202.5	766568.19	1069414.12	2661895.25	1302331.88	537486.31	931383.19	1421595	3307950	2238367.25	1166753.5	2597232.25	2169139	4352558.5	6451154.5	2309552.75	256913.69	404325.66	589998.19	4283844	6401782.5	1904308.12	8936752	1488323.38	525560.88	4036707.75	645113.94	2001152.38	3627682	3236957.75	2700156.75	2178539	4902960.5	3475794	5658064.5	1295582.75	1343357.62	4956266.5	840590.19	1163035.62	3406168.75	4992881.5	931190.19	3252377.75	5238997	1561920.62	562035.62	2158295.5	8318052.5	1937751.38	1143705.38	2084147	12243251	4330045.5	1026411	3057809	1787103	3546434	1857362.5	3195810.25	365860.5	940100.94	5582952.5	4776498.5	6256008	412697.41	7141143.5
Dehydroascorbate	2805016.75	3918105.25	2004246.88	3812344	4649745.5	2552954.25	4444946	4320524	2866363.25	3974550	3414885.25	2154267.25	3994605	3449144.25	4360194	2418416.75	4195764.5	3433544.75	3392414	3925382	3199330	3095879	4021455	3782156.75	4382855.5	6121426.5	2710609.75	3066293.25	3461242.75	2200760.25	3080254.25	2441121.75	4436585.5	2378746.25	3217834	2619870.25	1810694.88	3169342.75	2655061.75	2409538.25	2281574	1983364	3411437	3220486	1983473.88	2627683	1823638.62	3235320.75	3598171	3329688.25	4388153.5	2965348.75	4663611	2852722	3279169.25	3053612	2768491.75	3259261.75	3080955	3314600.75	2262508	3593457.25	3311769.25	3114277	2558808.5	3365643	2607131.75	2356387.25	3483618.25	2885443.75	2706879.25	4081430	3110758.75	2209506	2808941.75	3994453.75	4014148.25	2137859.25	3418341.75	3803851.25	3225333.25	2330702.5	4347628.5	4125227.25	3547114.25	3018100	3372643.25	2007643.62	3691886.25	3306017	2511382	2886401.25	3796651	3490397.75
5-L-Glutamyl-taurine	15667.83	57246.94	23422.82	30395.59	42639.82	21111.99	37720.82	10044.42	14001.52	42033.53	25863.67	9025.59	11290.28	26161.55	17105.99	6065.17	17156.66	25023.93	32461.28	35285.76	22381.71	20983.14	15790.69	18204.98	31160.65	7849.14	13351.64	22180.35	13112.62	7525.16	22496.16	44594.78	18789.41	18161.53	16187.12	15238.84	10284.83	15581.71	10419.16	8573.36	26203.2	25470.62	12375.88	14671.05	14420.06	31546.52	14188.65	61972.14	25360.94	24817.91	34989	21281.23	35258.49	15677.86	7792.55	11180.09	21620.12	2938.56	21300.23	46490.12	32619.34	12604.62	26239.9	0	14078.71	22571.48	19902.88	13207.6	31797.08	8815.77	27238.73	18270.8	0	10884.79	34570.4	18580.36	16480.34	9326.99	0	27912.95	16505.22	15303.7	2865.36	30603.93	31912.69	19521.37	11038.18	28199.61	34940.64	13288.2	20515.76	23619.76	10482.19	13475.31
Tetrahydrofolate	25007.15	69197.58	74764.74	68299.93	162437.39	98735.25	119010.05	227506.62	88577.37	136255.86	137393.03	104833.78	79507.73	139394.83	112078.16	66316.52	154977.3	138480	152181.33	167079.95	68687.66	134769.44	311106.84	104640.38	168402.98	0	136333.11	47456.01	166798.88	123019.87	103806.41	202795.61	126502.53	279013.75	158662.36	57588.95	163704.81	174162.33	85728.38	82261.95	130401.91	311983.72	204258.12	66870.35	92624.02	143350.19	138712.84	169215.02	137630.05	195983.39	110192.18	134017.52	114127.98	168149.78	142464.2	140616.27	138163.62	140238.98	114276.88	222328.33	251045.45	151631.52	129442.46	150966.44	290029.81	93853.05	170711.94	338096.94	160913.92	107142.04	141003.48	183198	104121.41	216974.98	72471.46	189865.83	257619.83	119746.55	329757.66	429675.59	194449.64	66250.98	203423.55	229340.44	112469.51	309169.97	187405.5	80954.04	138022.58	214948.69	39436.86	181576.58	139361.86	78563.69
10-Formyltetrahydrofolate	243032.92	138737.88	528477.69	83864	146886.77	202270.23	135217.39	253469.64	786244.94	34761.09	159833.05	164702.05	389270.38	387031.72	212580.73	550290.81	211302.8	106124.09	508215.62	376594.16	329060.81	166529.12	357294.47	434621.91	340045.97	0	218657.14	221786.25	113564.74	189565.69	138738.78	209585.17	341695.09	526149.06	302556.28	393980.22	348998.78	219354.67	127482.34	153578.16	281387.16	793952.56	524325	423287.84	207620.86	105114.55	192597.42	435481.88	432998.59	730380	406216.91	668547.75	359476.38	160878.59	77065.57	583480.94	621238.81	278316.75	255264	573057.75	136972.12	412466	322550.72	218284.36	309223.34	423587.97	116280.62	175358	385999.75	389210.03	335397.09	646261.81	207035.27	271557.16	313992.09	167571.02	126649.72	352092.16	439806.84	163398.36	502231.75	47326.25	462791.62	122224.66	520282.22	516589.34	314219.16	116310.44	56944.54	396348.59	174894.67	404632.03	142128.02	90163.23
Argininosuccinate	15427.34	12693.56	52616.8	0	12357.09	19458.38	12371.32	31142.67	12400.16	0	12286.53	31681.99	14118.61	13981.36	18731.91	51268.81	21583.2	9920.58	9821.79	16976.46	15276.7	11722.24	27603.2	52295.88	38343.93	101633.76	32786.89	38193.72	29569.41	11178.56	47612.33	14168.67	47491.16	8514.02	16009.09	17344.13	11586.43	33659.88	21476.6	8729.09	0	6277.54	13301.34	0	44022.1	12202.99	10204.12	14277.62	0	10007.03	15724.62	0	0	17223.11	15545.53	0	10417.04	25721.62	11455.2	13987.07	14840.37	18705.41	11843.19	11929.35	5778	13528.38	14112.48	11338.77	8190	12816.94	10598.73	10520.01	12862	15132.69	0	12759.64	27463.48	0	0	11407.29	15153.25	21615.76	7680.95	30110.78	9458.06	13791.05	10455.7	31126.76	11823.68	15874.52	23639.59	14240.02	32876.43	27615.6
N-Acetylneuraminate	392306.12	397516.09	537813.56	373651.16	472429.16	426131.91	545849.25	433464.41	298167.34	410242.25	458341.47	330308.91	266426.19	438324.62	299289.09	337619.03	293673.62	459171.5	455523.66	308817.44	355269.59	379051.16	510000.59	409100.25	359212.41	3187109	356220.38	276033.72	467854.53	409199.66	391328.38	531415.56	359995.22	379207.38	285282.91	302058.16	495061.72	450805.53	311837.38	367713.59	348820.16	432350.34	429521.34	514998	441098.78	450055	353872.84	453920.84	317823.53	485053.09	525789	888062.31	429258.97	352672.12	339936.47	373669.97	513731.72	563695.19	696054.44	408788.53	463432.78	436939.28	618424.25	259633.75	675621	524362.5	649477.94	544384.31	498885.91	510727.78	460616.03	395103.84	336914.16	386024.25	459889.16	486402.59	325123.38	440603.84	368778.03	581624.06	322508.59	449696.53	328303.38	288345.72	272756.72	346846.88	298324.66	368280	505747.41	536557.94	292080.09	431811.5	379250.25	374772.91
N-Glycoloyl-neuraminate	23380.04	49797.27	33108.27	38667.72	28223.79	33957.46	30915.76	38870.02	24363.34	24683.6	49758.62	21737.27	22571.82	34570.2	37113.75	9488.29	48927.25	39320.74	20648.79	40265.99	16897.27	20670.3	30623.87	33212.46	25786.09	19431.31	45620.15	50085.01	23682.34	33248.21	29924.96	35994.57	77486.55	32824.61	64166.05	25918.38	27237.41	37818.54	54764.47	20269.95	20255.21	14584.19	39771.65	41651.43	32458.59	35917.16	23925.47	40025.97	77948.26	42758.65	58740.66	22348.2	20229.51	41996.5	24411.8	34368.59	39713.03	13264.41	83381.06	25774.45	13702.95	36258.64	24298.77	40276.71	47708.23	44664.91	65695.23	18306.5	35921.27	19682.47	18102.54	21814.69	30372.69	49978.06	47727.85	23250.51	24334.5	20203.23	19263.77	57187.29	40051.68	35751.96	16575.79	46828.57	17748.82	16108.7	12192.69	29523.61	16565.81	37746.75	34018.85	34637.34	44529.04	59299.11
UDP-N-acetyl-D-glucosamine	373227.75	192073.05	124183.48	235898.88	178466.7	403912.5	289151.22	235880.05	226358.98	292498.78	285203.97	385836.78	186712.27	208335.73	388092.72	473188.59	258102.27	296489.66	303314	320845.34	212011.25	274108.41	245888.27	279118.59	617250.56	0	366865.78	135863.7	405382.97	356022.5	343593.69	329875.47	398407.62	332832.22	302282.5	203186.8	424448.41	641327.69	238162.62	259278.88	367323.59	310890.25	269428.72	172974.98	249743.38	325604.97	339787.56	233505.44	237866.27	204254.08	217891.83	323011.66	264562.09	333827.59	127064.73	140682.42	467951.38	567920.19	345147.5	255174.05	302531.22	217095.23	93004.62	240401.2	342147.16	295596.97	375700.12	249636.88	147838.14	302518.91	235391.2	138403.61	188649.2	246159.17	441029.59	228975.73	492676.91	499511.53	250665.83	198283.02	309400.03	184660.83	230569.39	369418.62	211647.62	273426.66	274871.19	196239.05	217856.58	171437.42	97727.46	216948.67	489646.84	138363.86
Glycolate	681326	918886.44	1133718	859885.44	1365344.5	687787.81	963910.5	762858.06	698384.31	1038951.94	876688.25	799366.44	762065.25	818521.44	734474.31	693113.81	943446.81	977206.19	934723.25	809772.69	1001272.19	759211.81	933517.69	983086.25	703792.31	859549.69	889998.81	1015890.44	1034578.19	733480.56	816368.81	872027	687166.44	811058.5	770774.19	801718.31	800672.5	793046.25	1048329.56	893769.31	923893.19	1117509.62	771704.25	664188.5	948156.25	928840.44	778744.31	706918.94	925666.56	879845.5	822876.69	854467.5	758477	894617.06	806671.81	952739.06	867342.44	797448	864721.69	943018.44	845714	837150.56	903945.25	1008789.5	882224.19	947495.19	716524.81	933152.56	929821.75	972226.69	905151.81	1046155.19	846691.69	837123.5	818496.56	1174535	788017.94	800382.94	732565.81	829313.81	939719.94	1061220.75	1060147.38	862529.94	1020017.5	894451.94	765876.69	966352.19	1024584	887496.31	957809.25	861513	837917.5	1058288.38
Homocarnosine	622126.69	454325	220514.83	488842.12	249758.42	391500	154424.67	356276	295916.59	197104.83	680259.44	154206.36	475971.22	139805.52	205719.52	282311.41	62326.78	264317.22	239131.81	429703.91	405559.16	264219.47	0	376175.78	166032.19	266858	204333.92	324181.88	235803.33	234550.61	224716.92	204147.52	263550.56	286524.72	492751.41	579905.81	0	173623.92	507566.12	285430.22	295624.97	204795.64	325124.97	256765.39	263614.66	203214	316162.12	79888.13	320021	200096.42	532085.06	654781	320910.75	217997.98	464414.88	518305.78	168123.36	273848.91	232479.83	481628.09	312849.34	282988.84	0	250296.45	270458.34	407444.91	282377.56	445339.34	300344.25	149899.02	348921.5	272344.47	358400.53	87866.15	241639.83	157144.36	649441.56	258325.25	178982.58	270163.5	300114.41	147645.27	453366.22	503368.88	177011.89	334967.47	101348.68	344830.53	406666.88	399262.75	383681.62	366061.5	306234.25	469962.91
Carnosine	0	0	0	0	14793.9	0	0	0	0	19696.91	0	0	0	0	0	0	0	0	0	0	0	13923.69	0	0	0	19972.13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21999.33	0	16953.29	17948.73	0	0	0	20209.09	0	0	0	0	16813.21	0	0	0	0	19340.71	0	0	0	21635.15	0	0	0	0	18790.6	0	0	0	0	0	0	0	52240.76	0	0	0	0	0	36920.48	0	14341.62	0	0	0	0
Phosphocreatine	5320.35	12238.09	38740.8	15617.76	98065.35	0	46651.97	29606.06	10858.04	11002.67	89896.79	7094.24	5092.94	98464.21	49933.78	13640.87	107160	31052.75	74246.45	85266.9	63381.11	88163.06	42396.5	81963.35	116350.87	138151.61	113955.34	43749.36	17623.7	57407.16	87239.02	76877.91	124210.34	26813.58	12235.11	10718.08	56951.23	91312.95	59687.62	118730.15	97942.38	39407.17	18913.98	17082.24	15744.58	68473.7	25921.17	39895.58	61462.49	69792.14	117002.94	15012.99	29471.66	39189.68	43134.39	51330.22	24080.38	0	47306.21	37404.8	54439.68	34368.83	27868.15	75529.93	12778.88	75004.69	28321.53	15900.75	15825.32	44591.55	109565.78	64789.97	21985.67	59450.29	10679.77	57633.23	93279.81	31534.53	16404.71	24077.38	17582.8	120873.75	34068.81	137896.77	22389.55	11758.25	25230.7	71793.23	49064.97	70051.46	120992.73	53735.57	53151.88	29874.66
N-Succinyl-L-glutamate 5-semialdehyde	359001.25	243118.25	284032.47	352055.09	307236.28	272985.09	381611.84	235718.33	202205.06	327107.03	314577.75	199681.05	270171.34	344932.59	333930.12	310137.78	353361.03	411735.28	265840.34	365798.5	249398.55	311729.06	610114.06	414018.34	397947.09	174662.55	236805.58	157699.69	575505.44	331395.59	245176.92	360413	393640.84	255798.3	343367.03	297187.72	281982.78	545736.81	539705.06	221495.8	320841.75	495255.97	266809.78	145028.75	176396.2	184817.98	354225.66	291602.06	337806.44	304040.62	431484.53	494821.25	476666.34	424208.84	282194.91	167888.64	355322.41	701713.69	389829.34	266522.72	339422.84	268671.09	178464.31	299530.78	462692.25	488037.59	475450.16	551107.94	170992.73	149830.52	205311.67	264681.03	253676.77	409432.84	368755.12	229896.38	287828.19	314166.22	521564.97	396575.72	275214.94	370679.03	389247.59	215102.56	299917.62	488349.5	273104.78	235503.88	246721.75	387113.41	319817.81	209617.7	367668.47	144820.17
Pantothenate	38013.05	88972.98	207617.3	90349.16	67414.76	95681.34	70596.91	150487.39	133576.47	54933.31	135856.77	92541.65	141082.06	169646.56	89192.04	137240.08	122384.69	34938.43	127836.45	192922.25	137946.38	78334.46	310210.59	46304.58	125097.73	142809.48	126281.09	167581.56	166347.56	110144.96	126086.73	144963.83	166214.36	163193.78	123979.88	71349.3	105245.16	120040.25	75746.51	100062.55	84256.89	118888.25	182497.83	63096.95	0	81332.46	175684.08	201831.48	81732.62	230776.31	211157.31	103682.84	95732.06	89611.13	112361.94	123380.94	94638.46	130979.38	182240.55	201280.81	126818.1	144105.64	199972.83	118119.54	140163.83	91029.6	225950.42	130553.62	192322.17	146235.27	111344.63	160467.55	85496.57	69071.02	62289.55	111661.65	66855.4	190017.2	151448.69	183522.98	71224.55	78724.24	44751.99	103519.44	54404.18	86705.77	101371.62	85129.95	113285.88	177986.45	170124.5	184822.75	178680.75	218578.39
D-4--Phosphopantothenate	27200.86	29569.88	0	0	16734.14	54707.67	24823.32	70713.46	7942.75	34509.54	26384.41	85013.52	0	0	20529.29	30437.32	55282.44	27575.35	18227.96	36905.4	0	16663.36	61103.8	31387.81	27253.62	20489.96	24647.32	24060.62	61247.64	0	29342.57	22236.76	33723.47	49052.34	67136.3	46831.89	0	73273.25	0	18587.02	0	17189.78	28732.53	68056.16	57203.32	0	39977.79	45214.25	83722.03	15818	22766.31	0	0	38739.61	55385.67	72670.13	24893.07	26310.77	64078.16	0	24885.38	30512.2	58494.64	35094.29	99049.02	28911.34	64791.12	0	23191.98	14211.7	57282.32	0	39413.17	65211.76	20043.57	47755.47	34904.61	46150.93	20877.13	0	0	51257.7	0	37081.87	21549.37	26992.41	40073.22	28880.17	64211.47	0	38311.07	0	47273.38	0
Pantetheine 4--phosphate	127949.94	76796.18	138933.5	83797.16	86750.6	143428.48	79791.59	104807.04	86740.84	90073.9	117076.77	111835.88	45019.34	53323.83	193866.39	125484.16	91751.56	64684.8	145166.66	96956.94	133458.31	50756.88	31874.84	79183.55	55098.31	27051.6	123033.84	35763.43	73531.88	109439.66	81689.24	44701.7	82729.29	129491.1	112139.62	52168.77	56369.53	56157.19	108905.91	32251.35	74046.41	94367.52	108619.02	105373.77	25968.68	113690.44	0	119555.62	70489.7	70515.58	46286.91	112881.1	34305.11	96720.38	92644.84	64232.68	93474.5	163304.94	98801.77	76260.51	117052.04	120123.07	103429.53	112026.29	165862.34	56432.92	41866.27	57211.92	76885.37	76572.16	101008.88	95290.85	79009.62	68959.55	120949.19	89561.5	87853.84	98897.77	104622.71	63691.19	134526.5	48611.62	75406.46	70345.5	65437.81	114024.77	113619.93	120338.48	50050.05	71612.82	96839.7	65331.94	85819.9	56944.88
3-Sulfino-L-alanine	12351.56	11396.2	29815.3	4197.96	45298.45	34545.32	29797.09	22941.68	3830.92	29239.71	0	7927.69	26876.68	25600.01	0	8711.16	11883.66	34435.59	24072.69	20604.22	32926.91	23888.47	17580.73	10134.56	12985.52	0	16812.17	7225.36	9169.03	6636.3	21183.86	24484.13	16322.67	8246.92	11740.57	9987.83	11116.94	26456.29	9649.23	7128.77	6933.21	23501.59	10682.4	13176.18	45315.48	20069.93	23668	12405.9	18333.27	13715.1	36007.13	22011.96	12053.61	19143.82	7366.97	10656.6	21026.28	34045.58	51801.22	12850.98	23383.58	48595.61	0	26271.34	15995.3	13608.82	21197.29	14313.64	13318.64	29884.81	23972.39	27091.23	21597.05	33166.6	16326.39	9527.05	0	0	19565.13	15692.42	16174.67	23711.22	11698.09	13782	7546.54	12759.05	8429.81	13695.05	7429	10111.59	12512.8	8732.67	22592.04	22434.02
Thiocysteine	23343.16	64834.88	86208.05	58172.86	89944.09	39406.89	46228.22	36587.57	41721.21	50375.71	7948.26	40175.18	50071.12	46040.22	54420.91	45888.39	27488.64	38630.21	67255.96	56167.25	43811.69	41252.54	59279.57	78768.52	64528.83	0	53053.24	67212.98	108398.5	57366.45	71205.24	68844.59	64809.71	37152.04	55187.11	45847.12	61240.25	59157.79	61845.52	44566.93	33656.36	41756.58	67231.43	56711.5	53551.03	59937.97	44971.19	81263.94	46489.77	79093.56	78485.84	43479.07	64765.74	38098.12	52202.67	82784.59	87643.84	62545.62	92701.87	66063.05	64014.67	75195.6	63291.84	54216.3	114230.28	64893.57	95163.54	81546.05	62749.71	54945.52	63343.7	76279.34	49064.41	42130.99	68709.84	87779.91	38165.2	37579.53	54939.07	75268.59	45176.14	67026.7	23669.48	28527.4	53821.64	42248.13	65887.62	65025.57	84784.02	97390.74	81986.59	65200.96	39323.45	55426.62
3-Sulfocatechol	44752.96	0	140259.03	0	66601.16	316268.41	56647.49	420772.09	553157.94	51285.42	760071.31	2463569.25	123763.6	647954.56	199574.27	689852.75	463215.59	16938.65	323283.22	418076.16	118158.18	142001.3	488213.41	461489.09	521318.41	0	140923.14	938122.19	534708.44	1994771.5	205316	597325.75	579529.44	1649090.38	329825.88	200453.92	826866.06	274868.78	221147.88	998892	1233709.62	2636819	1223807.88	541297.69	542427.69	657942	612395	1366966	451804.91	595272.94	855888.44	1259112.62	462134.59	2609364	996400.19	1137706.5	1688077.62	2775485	540066.81	2403118.75	636885.25	1048911.5	454225.47	338192.56	1480051	247109.94	1619614.38	1469223.38	699306.56	970406.25	4048595.25	341560.22	475851.78	2754862.25	494479	4892902.5	3424610	264101.41	1760884.62	6591242.5	672604.44	1244118.38	328007.09	2736778	188717.19	2137169.75	177738.67	1217995.5	160577.55	326280.72	197594.39	1540893.38	1318481.38	204580.98
L-Cysteate	30593.62	13728.59	17432.87	13033.5	19480.49	34484.66	25909.13	31261.98	10195.99	21236.51	18188.79	5472.14	19295.67	17313.1	18292.36	8442.62	23248.27	17775.75	21786.03	23926.24	15428.63	17735.92	25412.02	11133	16672.19	19508.04	27186.32	15725.31	12637.28	17056.13	28859.37	11309.4	19091.12	14925.75	16212.48	14946.03	14408.53	6702.3	17007.46	15781.88	15870.04	67350.84	10553.92	47328.02	28159.86	10345.03	62739.53	15564.28	34058.47	32112.87	26785.6	62520.22	13630.39	49600.6	15961.95	18434.01	14176.55	78083.91	64056	46633.12	25321.09	19387.92	17938.28	17590.75	57485.25	15479.07	27361.4	29287.03	17918.68	17915.96	16744.06	20770.03	19357.68	32998.13	45848.54	26009.62	18087.23	25291.12	13427.18	21069.01	22671.6	15862.86	18684.25	20523.13	14441.44	19889.18	17819.9	20805.21	23494.88	18066.19	13387.32	18794.84	18270.9	43314.4
5-Hydroxyindoleacetate	139308.03	151384.19	136682.2	145110.12	136088.67	188323.95	191866.05	196388.05	145215.42	171424.86	152558.27	156856	180148.95	185341.55	172312.05	153027.33	127960.23	190537.88	159184.55	157708.23	176605.83	170502.31	174757.33	160931.23	151420.02	171952.69	147013.81	138872.92	160724.66	161696.06	203222.7	133349.3	194526.2	157693.56	140642.3	120048.9	171485.17	177750.19	132304.64	131401.12	163381.2	144684.25	156942.92	141293.31	127571.55	206386.2	160465.03	130458.15	161526.2	175141.39	206648.95	148451.59	140734.17	163896.02	151525.64	117032.82	133058.05	193987.44	181857.42	166086.38	101055.96	188941.27	137641.34	141468.62	150201.7	138194.41	185571.02	151456.34	165661.53	131078.38	189764.11	167084.17	148084.77	144684.17	173710.33	179021.95	161030.42	141407.73	167477.83	169265.98	130658.79	140294.36	161815.31	159962.39	148700.25	155715.41	146021.77	110164.23	159946.31	148901.06	143438.38	134382.59	138412.88	183871.05
3-Methyldioxyindole	354281	19044.12	628692.19	27117.97	13921.59	37117.98	51653.89	92071.25	78568.74	29728.56	24565.56	20909.36	36983.26	17089.97	409066.34	564634.81	320844.72	26360.65	14564.8	79513.92	59267.24	790234.19	43274.28	741400.06	16994.54	102832.77	244449.12	79859.79	137903.92	706689.31	241579.88	61724.91	1091726.88	697594.19	652229.69	834371.06	472138.66	74355.09	771488.81	209086.08	1048584.5	846126.5	33864	669892.44	139101.92	39718.46	595954.94	18909.24	51850.93	30079.59	1008724.31	1182246	99038.23	47522.28	120831.43	28427.46	776935	715765	827878.44	21555.97	644988.06	19067.59	29328.28	67711.52	358656.16	1005492.94	1326556	1969437.38	76047.88	2191817.25	29061.39	249778.92	60561.09	49973.25	34047.17	15596.98	62742.91	739643.81	41149.81	15820.78	59300.05	67003.27	25169.53	52819.25	32954.77	40883.03	33449	560237.06	34144.54	29226.34	108967.45	33328.71	129944.5	49671.61
Indole	109237.5	170639.09	178326.89	158150.61	155377.83	99734.15	155849.3	88039.32	88708.47	124884.27	90626.25	78405.69	63871.84	91822.24	136516.23	89497.68	143273.75	147048.42	125416.04	128074.88	108329.34	89115.73	173025.78	118901.4	125651.51	7538.24	101015.88	110597.02	166096.86	160864.48	105095.25	106635.79	158606.09	88087.82	123650.48	83740.12	125050.75	147846.84	74974.27	111865.51	135665.94	153331.95	125653.34	95361.71	89535.05	130654.09	126570.79	145641.11	114800.49	146348.44	115423.38	96190.07	110158.41	127213.69	110906.6	133755.97	116414.65	168371.23	184131	102486.07	123641.22	120629.23	157673.73	133683.45	135041.17	106077.91	158646.5	129739.85	122348.74	100190.12	131500.11	124293.52	121652.6	107408.47	134046.77	92870.82	160027.38	134452.67	87947.5	100773.65	138700.73	190238.8	172213.47	166347.55	140134.33	122984.37	102727.25	113219.01	129594.96	123815.18	156999.73	140728.92	129602.99	132825.31
Indole-3-acetate	1464088.12	4504133.5	4929377.5	649616.69	3301575.25	1848710.62	5757841.5	2802395.75	1468203.12	3804144.25	2855964	1651458.62	1728500.5	2314886	3543140	2638538	3881656.75	3857174	2174619	1651676	1428660.62	1287179	1765776.38	1681405.38	1641333	4939.47	1022857.81	1120753.75	1343255.62	1519175.38	1150077.25	1075151.88	1967815.5	265158.81	327509.75	355292.66	834962.31	1573036	1101168.88	1126192.5	1709979.38	302154.44	266908.22	273274.53	283361.53	217451.12	262989.31	315383.78	282800.47	325245.47	331195.38	246699.64	352590.16	267809.81	200647.31	322659.59	287636.69	342559.28	374752.66	253878.95	302723.06	255325.86	310782.19	333632.22	329388.47	313421.62	274697.03	263888.66	237476.67	237996.33	349715.41	255412.42	306467.66	264871.66	267646.34	225750.25	265911.97	217853.7	256790.67	298258.28	278780.06	526771.81	281090.81	277807.66	301789.5	281403.97	234867.17	2223504.5	2524482.25	2937902	1401129.12	2232284.25	1617472.62	1288322.38
Indolepyruvate	375905.72	725887.75	706677.75	891802.81	715745.81	405265.72	693878.75	474517	271088.28	552408.5	533586.69	397238.53	181512.36	445476.38	644975.94	441442.16	671241.38	958341	548984.81	524947.31	338429.09	210998.83	1100621.5	282865.09	562558.06	2692.39	227052.11	295989.69	1100827.62	381363.41	302514.91	747449.94	715760.25	320256.5	503784.62	152811.14	332516.12	1113212.5	216831.64	327792.62	487265.09	763374.81	720524	470996	399950.59	500128.5	539908.31	832379.19	393855.09	535168.94	704101.69	616821.5	462574.25	1129341.5	688940.94	361644.78	887333	1105189.38	775298.44	491496.91	548267.75	661785.31	715812	450579.59	909052.81	461964.66	887369.5	1059174.88	691075.56	578575.5	666167	902896.31	486504.28	1054378.5	698495.69	437966.25	1335733.75	482338.78	391707.53	473912	523344	1658265.38	831172.69	1463290.38	506963.5	461609.25	555790.56	474159.84	543511.31	720717.06	493202.41	676201.69	707847.75	294595.78
Indoxyl	15295.79	14113.41	5100.06	15386.86	2832.45	6677.54	21795.47	16863.93	19838.78	13449.21	8564.91	46013.77	17458.42	2568.45	17838.19	19888.03	30904.69	50486.18	12959.19	13934.51	12355.86	15083.68	52193	11359.82	7417.79	1716.35	24979.85	8435.73	70909.71	27622.72	11707.84	46643.61	42886.91	24607.83	20362.48	7038.68	21719.13	50764.24	14225.09	15378.26	42494.5	28922.38	7944.09	11246.57	8721.57	21912.39	23158.06	18362.56	25889.62	6992.75	20334.04	24067.93	22291.61	58218.25	43850.64	10512.34	38500.57	39494.79	22254.48	1950.82	23317.88	11757.35	13816.28	14723.76	23202.22	14576.64	31865.49	22552.78	17866.2	18360.72	15096.57	20655.4	21274.95	79451.23	17642.86	7732.15	41516.15	29870.58	30242.63	7747.59	23367.53	18997.36	20629.36	40866.21	34148.32	29811.7	42365.04	9203.57	26695.01	8811.2	29214.27	3576.06	24100.25	18759.57
6-Hydroxykynurenic acid	8925.03	29619.7	16433.18	11716.12	0	5495.39	18477.1	17388.3	9732.36	13793.38	8174.23	9529.48	0	0	8563.05	8355.17	11616.96	9319.89	8755.82	12185.14	4281.43	21953.77	18023.23	12544.68	0	74585.03	11374.38	9253.96	50712.35	0	12258.04	36812.38	17263.63	0	14984.22	8750.11	9039.12	28210.75	0	7695.58	11915.02	8160.03	0	41511.2	11604.07	0	8330.73	3216.81	12463.56	8808.49	8726.93	11245.4	26038.1	10261.76	6026.94	9743.43	21795.48	0	21135.66	0	0	10365.65	12382.05	9977.16	16865.15	3927.26	8437.14	24423.91	9516.91	24096.24	0	15693.75	16833.62	3914.28	11872.42	3503.33	3861.71	17037.9	11287.79	0	4611.26	27987.82	14542.39	10733.77	0	9655.2	14642.68	12632.96	0	18244.88	6546.89	7287.18	0	0
Quinolinic acid	525621.81	569526.5	651164.56	528835.75	494836.66	354645.59	510182.09	705257.75	210469.08	344110.81	608094.75	505546.66	332807.34	694614.94	267318.03	621330.94	329061.91	430366.34	497043.25	251255	247368.52	382144.28	546626.44	316668.34	341319.03	94148.01	260935.69	355366.91	385678.22	359254.47	343011.47	394507.91	413618.91	419628.16	244661.88	222113.45	539769.81	668271.5	177701.5	299464.41	521066.75	456531.09	533511.12	627983.19	528602.94	351319.41	535396.69	412321.34	364685.78	374244	534964.94	557993.56	361560.84	284026.38	639067.5	621242.5	516561.5	419702.12	693533.94	516025.78	355046.53	429175.16	595536.75	334528.09	494072.78	650700.31	744323.06	731543.19	461273.5	629339.25	519150.5	610797	371592.75	388332	284071.53	685051.94	421557.97	566108.94	305857.03	723730.69	414032.59	424687.5	574544.62	485722	315567.06	490739.91	440127.38	576313.06	251384.67	707561.94	507183.41	542342.94	375988.38	547208.81
N-formyl kynurenine	150096.2	55507.49	56687.55	50493.97	134902.7	108825.34	115855.93	90553.38	36627.12	146528.94	151477.64	152050.7	79408.15	126178.23	163357.2	221460.2	220360.83	236423.12	97077.71	170311.7	95225.02	121079.2	146865.11	163591.39	247500	0	176727.77	32432.97	288620	217862.06	177154.55	131330.86	289022.91	120882.15	229171.7	160093.2	184584.5	390280.12	236389.8	256768.94	224678.88	230356.3	88368.52	53675.8	226272.52	183117.05	188466.67	106856.77	216672.77	80933.52	152706.67	281057.78	164379.59	199532	63535.46	31987.01	261707.44	297627.81	217912.69	146342.45	193255.81	96617.84	73853.87	160939.58	161629.92	212631.39	236302.39	128680.38	30320.35	125460.71	138013.56	78459.32	264815.16	112781.27	217192.17	39821.26	197992.92	220116	140077.92	0	201184.69	252395.12	171097.14	214622.12	167730.52	86341.59	50373.93	264079.66	172266.17	86341.34	182533.61	173516.69	274116.22	125745.06
2-Aminomuconate	627942.56	503123.91	510630.09	445750.34	537649.56	726212.81	573145.31	580305.44	577877.38	645847.56	729149.75	735341.44	538026.69	763321.75	635772.19	795728.94	749229.81	610759.38	671590.19	833775	1103149.88	704405.5	1119588.12	929800	585325.44	48557.72	795969.19	760635.44	1837329.12	707060.5	698376.06	1202293.75	1083023.62	677636.81	631937.12	684526.81	679529.94	1584155.62	874612.81	1016865.56	710855	693920.81	730574.31	294219.09	836943.31	833983.19	992536.25	759101.25	680387.12	1081975.38	656832	746552.06	854587.56	802638.75	742830.69	773425.69	955944.5	954201.25	899175.5	969025.5	716707.19	861587.56	680388.56	932738.31	874039.56	738186.31	818926.19	820771.69	952972.19	431968.97	983100.69	794189.31	998932.31	842391.94	1125257.5	801008.56	804709.25	757602.81	612806.5	540300.62	657499.06	668482.06	715400	731033.81	533436	631034.12	412330.03	647008.38	647640	572658.75	1152192.38	805874.75	748554.69	851578.19
Hydroxyindole-acetylglycine	193229.62	184252.11	287091.03	176453.67	284489.75	125145.69	309622.75	359497.16	50236.61	221615.12	183412.98	194374.17	120201.24	70937.03	127708.05	243441.67	130402.93	134861.3	97608.48	216556.95	59331.5	34718.01	63793.12	37402.43	79397.54	60399.47	41661.45	85686.69	63951.18	259493.05	72980.26	52746.88	86305.09	454518.09	93496.06	58957.4	273795.78	209484.88	66236.38	452366.16	300584.88	351138.12	90879.56	313993.16	106621.22	73434.77	467869.59	90900.71	61358.74	131922.31	112700.06	233325.38	50713.8	212288.55	107570.24	47581.62	710205.06	433246.59	157654.81	93485.15	422325.97	109232.1	112707.4	50432.94	574343.19	244634.67	178569.56	373348.47	145572.11	139674.3	84726.84	142450.52	109499.63	145920.86	57284.18	68773.66	139418.12	555644.75	264728.22	97717.56	236936.44	290863.78	369633	186519.55	372040.97	261232.38	290732.25	218831.48	130699.09	217278.92	56046.79	104083.32	92343.79	67665.94
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	350970.75	366521.16	570621.69	321385.41	406738.97	390166.5	600841.94	419537.25	555833.69	420698.72	333835.25	544062.06	275390.75	411616.97	387082.62	604361	348333.44	408357.25	503666.75	295092.41	574656.31	426008.03	287481.72	358504.5	616925.44	390135.41	671773.5	353340.59	315589.97	524818	469648.25	432201.34	648204.19	388181	419212.38	471063.84	530518.94	350814.5	655450	337449.31	337539.09	415703.66	406703.25	401582.28	439673.75	477431.78	449549.47	463711.91	357059.09	246496.81	250342.5	446499.41	261990.31	349388.84	447844.03	478979.25	500787.72	384895.72	426813.25	321852.97	308406.28	295856.03	433285.25	306125.16	482239.09	420559.72	463599.66	437062	396789	543286.06	422229.25	373046.5	442515.34	551863.5	238406.73	488319.72	489077.97	441983.28	361891.09	293961.84	462104.28	324598.84	301863.09	427249.75	287180.09	462732.22	468925.16	509576.16	428444.84	408122.5	384479.75	398980.53	445453.28	460221.91
Glycerol 3-phosphate	319260.41	549681.69	560181.25	404698.59	549493.19	396667.12	662334.81	600974.69	336465.47	499689.97	724428.56	305056.34	297427.88	629848.81	552456.06	266657.22	695338.62	520523.09	536070.5	833507.44	414543.84	343021.78	538853.06	469635.62	809158.5	685472.69	400637.66	280336.03	461615.66	512398.09	510321.78	516108.84	691082.19	494185.59	389108.34	282039.34	524173.22	532675.12	385569.84	586308.06	663661.62	454511.62	501305.75	434081.66	341912.91	649950.69	463592.5	562431.06	491045.75	723596.5	692164.69	602055.25	725540.31	462956.59	360306.78	529005.25	385704.75	523241.78	1088590	533121.19	554373.38	599036.94	491447.97	503763.47	524779	806944.75	663735.38	560128.44	492292.91	618941.06	610912.56	541176.5	441569.53	552890.06	725499.81	596797.81	646581.69	609265.19	374321.5	548988.56	341031.34	724405.5	469633.16	624148.19	347863.56	420365.28	421842.22	389131.47	570804	504179.41	491571.25	677444.62	897029.56	407253.09
Phosphoethanolamine	31666.21	31104.45	36041.39	36494.3	10627.05	17955.02	34137.62	29780.97	35018.93	16859.94	112028.2	17249.26	19294.88	45702.64	16168.99	26547.63	35744.04	18822.9	33268.89	44535.67	33685.14	19416.27	47997.62	31438.99	87461.84	18680.66	16472.67	14520.51	27772.73	40556.56	38277.06	35348.21	58088.32	40119.23	23375.36	25557.19	32796.27	26913.91	32122.9	46576.39	43556.66	39199.83	30766.84	35831.33	31208.77	21755.48	19877.83	21303.9	47545.08	79436.19	74103.02	23048.06	112438.21	21822.56	27234.38	31766.83	32471.42	57009.88	39558.91	36920.92	44897.47	25834.43	54561.63	78895.04	33277.02	80248.02	31256.71	35211.33	47259.38	35007.83	27103.7	29009.8	21458.26	79056.35	44948.8	43202.14	41104.22	44962.82	35466.82	63962.61	12242.03	24917.71	18260.58	13693.97	12986.82	19694.96	15369.02	35220.51	21132.14	87289.55	46799.39	96913.34	25356.56	29223.63
N-Methylethanolamine phosphate	578084.31	661706	787527.19	714756.75	617848.19	668078.19	673617.88	709104.81	451290.16	492737.22	572702.19	667919.75	510098.59	682701.31	446783.16	619322.56	515843.5	659805.81	710688.69	443932.12	430859.34	400171.25	583634.06	296955.28	472941.72	33275.95	338466.34	430907.91	626885.75	546695.5	349580.25	667043.06	476892.12	524871.12	419642.91	334263.56	735657.81	655632.56	243618.95	559851.44	519436.34	615184.06	719453.44	836802.56	566116.25	522320.62	492205.34	542688.31	477402.28	573639.81	601929.69	782644.25	516395.38	692285.69	531377.06	579776.94	547727.94	514066.28	695270.56	565547.38	598563.5	549807.44	684865.44	455198.66	535954.81	869387.06	784134.94	675238.06	610791.69	695030	723706.25	745908.69	651255.19	559857.75	403096.22	448465.84	505173.41	649065.62	540647.25	507113.34	465858.41	671404.94	590181.69	468700.88	421422.22	562897.56	511821.91	819217.69	510166.66	667663.75	684126.69	523224.41	471821.91	437252.53
FA(4:0)	2187391.5	2503646	2149544.25	2198709	2325919.75	2717211.75	3534450	2499603.25	1912462	2498557.5	3643882.75	2738130.25	2369726.25	2695809.75	2880623.25	2370076.75	2235097.5	2176812.5	2121983	3691255.25	2010665.38	1986610.38	2899371.25	2589859.75	3143201.75	286962.09	2384157.75	2990479.25	1816038.38	2480401.5	2563939.25	1882493.62	2791100.5	1018373.19	1181192.5	1560091.88	2282419.75	2647854.75	2102760.75	2235924.75	4187960.75	493263.5	388997.41	427767.09	315366.59	523962.5	407457.84	552372.5	437098.38	373274.91	445665.59	303872.03	366493.09	382043.53	371655.59	359877.38	465614.53	599484.69	278319.16	428465.28	402493.84	366508.25	325859.84	321509.03	490651.38	303917	305519.34	437246.5	321369.59	423450.09	430719.28	372273.12	535387.94	439615.59	402990.59	335520.78	429607.28	478186.5	386128	407901.59	349419.31	417206.62	430350.53	313692.41	450831.88	454211.12	427631.97	2875431.25	2560495.75	3282544.75	2207468.75	2069855.88	3609080.75	2249633
FA(5:0)	511097.09	765394	459433.97	617717.75	478277.25	375038.59	429095.62	433598.28	350274.25	346105.47	500181	296086.09	418902.34	315150.84	832629.69	356777.75	702229.5	345244.84	444209.41	478563.91	516714.59	385502.12	412270.59	466320.16	1339866.12	229284.45	449129.16	369890.91	308936.78	363054.75	365756.38	533285.19	1335588.38	472108.75	756826.56	389868.12	405151.62	347202.22	358988.62	428289	545634.19	608846.25	452067.25	415359.78	215700.44	311671.41	490385.62	464834.66	420423.5	500789.78	510460.41	530858.19	369454.16	376507.34	560065.62	423067.12	446981.38	556244.94	207964.05	353473.59	390659.91	385791.03	531463.62	297922.03	373673.5	576581.06	315339.38	533968.12	445080.34	395510.5	422740.25	256149.83	279491.28	344964.03	303416.16	617430.31	330116.16	389526.09	603931.62	527811.56	431310.16	503779.84	449489.84	250937.86	574800.69	557051.62	583245.31	429400	469613.38	492786.91	645736.56	501026.03	711545.81	459773.09
FA(6:0)	692437.06	1008318	619010.19	1937279.38	725759.5	619685.38	626592.19	690774.56	674738.19	1046763.94	755638.5	751640.06	747288.81	682418.19	1088669.88	907196.69	816909.81	630566.88	755109.69	698127.44	638928.19	521779.91	372812.25	558237.31	1004119.5	301861.97	559008.56	565294.94	389562.72	1036826.06	589614.19	598547.06	722856.69	713800.81	928914.75	583099.81	699778.94	361059.59	512013.38	1059679.12	668475.94	640917.25	726672.69	547842.56	626284.94	742846.31	723440.5	614221.5	527902.31	628967.19	476925.66	500811.25	682274.75	560284.31	821097.69	559731.62	762457.19	1252582.12	448372.59	629532.44	668579.31	979067.25	651516.19	785385.25	852543.81	647823.44	453112.75	697653.94	657399.06	513912.78	644122.5	598574.88	755793.5	579589.81	555164.19	646315.19	624914.31	1316753.88	684265.94	722424.06	738543.06	514153.53	1281723.38	562697.69	940528.31	686386.19	1053844.88	706463.44	750953.69	684806.81	585178.5	631690.19	724448.19	498843.53
FA(7:0)	896558.94	759562.06	806052.94	880967	711353.81	710257.06	788370.31	838602.69	821196.25	839105.69	910448.69	839253.81	833340	778823.31	879325.69	864944.81	836131.69	732959.69	845991.5	661654.19	699489.19	776657.44	699681.94	855279.31	878441.69	678666	810507	709851.44	739132.5	928384	833851.19	784720.25	910201.5	771466.69	813309	905282.94	824283.44	797683.81	820985.5	762184.69	910136	806104.25	855765.81	830360.31	754572.5	733503.31	897192.06	862718.5	748682.81	744331.94	711363.81	718095.06	891340.19	816802.56	922294.44	771074.75	899249.31	1043103.31	735188.06	935172.5	850841.56	961851.25	916639.94	859487.75	1120803.38	886334.69	836705.31	974091.75	799323.81	854669	841309.81	852216.69	862515.81	891297	854413.31	807873.56	883621	895145.81	1021889.31	790600.25	836507.31	836708.75	909789.5	806777.25	916809.69	1054822.25	943134.75	929142.5	783287.75	844107.31	824944.94	891189.75	903279.31	720456.5
FA(8:0)	175148624	190761728	177395440	30719034	89245736	99564224	154003392	107225400	73754448	181567408	111698216	83536488	74111624	123165064	134751280	130932376	89597944	109937464	66585376	104208792	541073472	55275764	67040912	125485736	110220544	627801.31	78952184	119284504	84218392	105092840	74697000	68010264	79729448	7263185.5	10802867	18920258	105500408	119619320	83264960	116249824	153018544	4281706.5	5823355.5	4650734.5	2987805.25	3292942.25	3966983	2660118.25	2887526	4378574	3449981.75	4028818	5637288	3720911	4740492.5	3221618.25	4515904.5	5138882.5	3954301.25	3380315.75	2603537.75	4473900	5181798.5	4328665.5	3904792	5707764.5	4223478.5	4021912	3773026	4535483.5	2907520	3970775.75	4134013.25	3664104	3887261.25	3447126.25	3901428	3403646.75	5173663	4273316	3858759	5255668	7017326	4488500	4085544.75	4269854.5	4718058.5	157384656	161958912	195504912	697259968	93181080	96933632	432004896
FA(9:0)	15368569	14220056	12998244	15079136	15265487	16485971	16307973	16427568	14421224	15196684	15541405	14342148	15154696	14583372	17186250	15990720	12363443	14064580	14477388	16038904	16685261	14185641	13632971	12255536	15962429	14420325	15123328	15086083	16812894	14919667	14905377	14152032	15333896	14843693	13675047	13379307	18642846	15125309	15794036	15539069	15084923	13178040	15374968	14936075	14249179	15552663	14424719	14334855	14805089	15342147	14721765	16118392	14260767	15470623	13198096	13147905	15029396	14720655	14328832	24902390	25853538	24504394	26636170	26041520	24208800	25364878	23487096	22894418	22165566	21973134	21691018	22761192	26575806	22166736	21015480	21458654	21242442	22983574	22049216	20670552	24035304	20890034	21325182	21121306	20813928	21389786	23917446	22678074	18964730	20269256	19566602	20399258	21654458	20843510
FA(10:0)	39192292	43515436	42665036	62447968	48615148	51249780	47898096	45981084	51558484	43522868	39873800	39067996	55848012	36565452	45265660	41362180	39227064	49771780	47727964	45371532	57933644	46731440	36207724	36413172	48381088	28971264	43700456	41931744	38331596	56587472	50360036	39415944	54527360	42318736	38401164	35817948	42917276	30903414	43363068	40904900	38122428	52105188	40819088	46251264	41184836	37405400	36869284	36150888	44016756	37574008	47371652	31770574	40637128	37579076	43691952	41815200	52760816	74495680	38042892	39788752	36749972	50356628	41223556	37832196	36823956	38959948	43872116	34028508	47745072	38049424	39858576	30126902	45811644	33917900	54623220	42107668	38373836	50348972	38867320	47664596	41046480	29315752	71348776	38652992	39794756	38594324	49526836	50981996	47067408	39165364	31984800	36037024	41820884	52491724
FA(12:0)	13792339	13447013	24226510	22818246	24349088	21839110	18549662	34707088	44910160	20574016	24607672	18409454	59640972	36175760	16801474	20101380	15239299	17202582	41900728	16764468	37437652	32029824	20437458	23742678	19182376	3180407.25	31573856	23712714	4870678.5	23316266	27107418	18129556	7885950	24050766	16311539	17821390	17144414	4511230.5	27335938	13598080	13426575	23370358	22711928	20701956	13022408	17178880	17688450	10786173	23948754	18608058	20657936	12099795	23388634	16379648	32731306	31829792	15630273	22590550	5852957.5	25835990	18869326	24590490	22837966	26618270	9692469	21083494	11800800	11367227	19854758	17291590	20328046	5718937.5	18994320	12480604	35272484	29519024	6703080	19716400	14473056	34211236	10889731	9391169	11403216	7410614	8933352	17763022	20630778	34308804	19341354	33280992	5359458	27301056	12569575	20203854
FA(14:0)	40469712	51088092	63649452	64931312	53187932	50173312	39578380	44217120	96647296	36125356	59098764	52164224	165622608	70255544	75104568	63517340	36561072	13046205	69925280	64000480	74320432	71083088	45875264	55639284	69366256	6002652.5	72830840	71599376	9834654	60021540	49743284	57420480	13082016	70676040	49291596	44806144	55903476	7960755.5	78820600	39502744	33448170	59550948	69827320	58670516	43873068	50838864	51913264	32239158	68858776	41912232	47210672	48128108	66159052	33551830	61612084	83110848	17950666	18531300	11377424	86682280	59292720	63034020	50945536	68556448	30790440	71553480	28871688	31565454	45556736	63042880	56843436	13939189	48156352	23865310	47531684	81052552	19818648	39428524	50774188	101021208	37664516	25818566	24785846	10537909	27300830	68393152	64302480	70874904	71327784	60218320	10823534	52723696	56556192	62093188
FA(16:0)	228910032	257652944	251895824	278876352	333672416	255760752	294695936	288809312	273490592	197436464	229073536	183267792	398125728	195388784	229218176	236752336	182847728	163872592	202085456	278577856	328311552	216638416	201093568	186490160	231391616	56473564	217757616	232081616	117283112	188618624	248819008	216356080	136614592	220491904	230268080	221242000	196564304	91605016	183134384	166126224	166479904	150055936	230403696	183962448	183569328	139600384	171765584	130576024	205909136	190746928	294476384	163344336	242553728	148018880	206505984	275711136	77004936	93615416	116314536	188251312	186413872	262927824	195389648	253959808	195452544	274682848	204495696	156169264	259180032	224194608	178694032	74772216	173748288	117393896	152456208	219716560	121323944	236932208	196243024	264228528	156830704	125073416	110409960	110450880	118711240	203576464	243889088	234115072	201031472	226052560	75836184	231148096	170261888	301289568
FA(18:0)	240823088	205122288	223930576	242345424	285237536	266361488	222432528	208466048	218858960	194522864	186916656	184919152	253379152	158457424	210203472	196540240	128253432	135080944	171848672	201171264	245102464	215001984	168044304	168140832	189994176	34861628	165999488	162853968	158232048	176093328	188853040	221835264	91651392	190797328	239702528	225324848	190633616	70598888	151928864	163314320	140139472	171573296	176733104	200185648	180823552	134208488	148170800	127680248	178408048	169666816	314698208	175498992	220844368	138565200	179096064	240566336	66295244	76200496	77407176	176332240	166052880	200645296	173383184	208345472	176972912	222319664	187017472	174826128	193471024	231885232	120859616	55112276	136564192	111665960	133464104	215843152	98087192	206971856	201868800	213258896	148951312	120785536	87964024	106247368	140457968	205333008	214128720	200736464	182306880	228991616	53427900	260587008	144379136	271155584
FA(14:1)	8619868	13116311	12975896	18378344	18016258	18384844	22610442	17478182	25721306	5605148.5	9912165	10643946	34413364	10829281	14072091	11491455	2853284	4526032.5	9071562	16670315	29950834	20872874	11969255	13491101	12595681	2269329.5	18424914	14978709	2462447.5	9861031	20460546	10476321	2943075	9643061	11161728	16630792	7032701.5	2003849.38	21032162	6169502.5	5889752	10474692	23782008	9343779	7203662.5	7694314.5	12731077	6609169.5	15122345	12497981	16544764	5512526	23901918	3198978.75	25583018	20241770	1694995.12	2394677	2609848	19828062	14425759	31186432	17519346	22058900	11263867	19023374	10535597	7073001.5	29151040	9582617	10398472	1977907.5	10338312	2255269.75	5711018.5	20787562	1932654.38	8333776.5	12192381	20672870	6049824.5	2719964.25	3209933	2411163.75	5993879.5	13836615	16636713	11591715	9111165	11401552	2166662.75	12221609	6985301.5	28405056
FA(16:1)	57936928	84545480	98333912	119687832	128197928	93764640	110446376	65900660	89331624	38622920	58820576	70269240	142741808	58236524	75760616	70266504	22800952	15162321	48001412	79004160	94497864	84264536	58665492	82920704	59401100	3563162.25	96755736	70919704	5031817	50766212	63458532	55565184	7419660	68117704	70095072	66807860	33228174	4289025.5	79124352	33406542	23703392	45209124	96306440	38114436	64484924	41894492	60250064	21698494	99320648	60931572	59675568	32159514	93222184	11700904	79263000	86783880	4111114	4556868	7301344	111925888	78888304	116060776	63390908	81401816	50664708	68266856	32031218	38037148	79699080	43046492	58982368	9870556	55155884	6680064	25879446	85627712	3620969.25	45297936	71196760	99364536	38961476	6669672	8300209.5	3001408	24118702	67347688	76065992	63957756	78141104	58783956	3174749.75	55047420	39488004	68246712
FA(18:1)	281683872	307260128	279821952	395391904	472055712	361030144	436340480	396953728	310744096	196102160	271317632	257432240	362126048	251979856	315509888	244052240	153138640	172246832	226077440	310510720	278228064	261044544	230842672	218194432	236800016	1727157.12	243290944	205623696	81400104	188952976	319997024	228556672	107544984	268598176	310858752	270799968	167798976	44030288	195798912	162048128	128499808	162912592	261161728	215361104	212368208	154198336	176136128	102649448	290551520	218382448	349050912	191774992	384413344	108529664	315660128	275332992	60928832	52669260	109460224	263978944	218862320	370053408	196456896	315760288	242686640	311146400	289359904	139544176	366300768	237564976	181912848	51455364	239193920	92086104	128984992	319781280	78237976	186854256	252264256	248742608	185451392	82700392	64861620	88200216	116802176	216065872	308943456	202503728	260300848	273596000	39070924	283267232	165015984	377310112
FA(18:2)	113301592	182480080	204195584	199496256	249065920	161538176	219277744	319456160	216252304	132567104	262067072	141393728	342198176	256097360	186547728	126946328	104827192	95224424	219597776	185860080	210585648	258021424	169366080	156195504	192428544	972104.81	215128192	171539344	34948652	113334952	206086064	151443728	61630860	217251584	178957136	203558704	124509832	17783376	187850032	126151816	111416248	103530072	155977488	123438272	116723208	118400296	156244160	59721892	262330192	152751872	209728880	108411112	215028800	80080168	160537520	218962160	34978624	34334188	50410764	205922896	188024768	212532608	132467720	201996592	167821168	144636064	118104888	110726112	184263376	266300096	131184936	29220686	143980704	55149760	123912328	221430144	46289812	169884848	161293488	223617072	123554624	50555296	33180024	46788788	66371860	178546256	204285744	146023600	176735216	240235008	16459659	245508688	102255576	243491504
FA(18:3)	5211266	13126372	9841201	25111318	36062892	13597804	29220570	32483904	25099414	7041181.5	14147892	7228299.5	38944620	16713709	12943173	6674753.5	9006965	5050681.5	13552444	18333620	35680240	24972522	7639446	12794032	14257209	77329.11	17052776	14071848	1742801.62	7326506	27264926	13627287	5457648.5	17765340	16565061	16527524	5825197.5	929609.56	13515345	7079198.5	5673569.5	13045353	11267112	10881564	4878407.5	7141314	12586529	3061408.25	14467836	11064713	26395770	7284048.5	15599153	3883159.25	18230914	17989660	1853988.38	1492798.12	3886993.25	17134524	18960166	21859278	10436592	18358078	16283392	13702619	16373095	7000834.5	15613989	11874927	8279289.5	1377816.12	9671829	2736596	7807698.5	13713771	2406886	7278879.5	11673673	18333158	4165346.75	2512967.25	2086448.5	3865939.25	3105455.25	11594495	12768253	11635005	16248536	14121549	937884	12424341	7994944	27594762
FA(20:4)	33897188	27093992	47420400	33510944	23028822	32299670	16894278	24493520	40277196	21798808	45513812	22975114	60207372	43750560	34075872	32389086	16588285	8426821	44340052	16689669	23584680	39441044	38129360	29669640	21433214	67381.29	24418656	28289306	6823536.5	34096540	14135016	24968270	7048500	31813670	15789881	23861488	27231680	8601207	43721236	17145450	18229208	28430074	28881280	29850648	37538876	9962361	26810246	19282088	24508528	28494146	19055392	46450508	27337554	18674198	31210262	34242900	15635197	20026210	9274865	59168148	41856256	28169290	45274212	20357438	14285228	33935780	10852068	34860228	23745744	36858952	26029110	18239370	16289836	27867010	12539283	40498028	11509233	18472602	28350670	74155272	33658128	21462560	33688548	6186078.5	22215368	49161284	38749900	29121856	22289616	34369004	7164421.5	36784252	18369646	26370934
FA(20:5)	471586.59	785530.81	1160876.5	1117615.62	1704556.62	1258148.38	1422875.12	2764018.25	1622922.38	350545.59	794923.75	545913.62	2961810.25	1223178.5	960965.56	653821.56	360664.5	504385.59	595417.88	779423.69	2850895.75	1885951	9646508	964429.25	636128.06	26744.65	1526168	1169813.38	2775024	496912.72	2050802.12	3990731.25	356883.12	950622.69	896596.75	1143081.38	442793.34	638635.25	1100639.88	448575.53	457409.16	993441.56	1557135.88	1134428.88	604720.81	596637.88	1004748.69	511343.75	1230879.12	1567070.88	2884788.75	987647.69	1607278	515853.97	1592237.5	1506003.12	220531.23	382582.34	826314.19	1055190.12	1465704.5	2542883	1575563.38	1433937.5	1487464.62	1469120.62	1950251.5	1128794.88	2498565.5	1645504.5	755497.81	313584.72	1026126	800764	911159.94	1453723.38	273572.47	685893.31	1463120.12	4610844	455933.16	452168.47	519897.25	373276.62	479476.5	1592459.62	1547503	794816.25	981123.69	1013903.56	261976.44	861486	510567.09	2788555.75
FA(22:6)	4737089.5	5344584	8083481.5	7104145.5	11658888	8412441	9630455	11638837	8979032	2973826.25	6218104	4606008	13006884	7837103.5	8314324	3745454.75	3466889.75	4643294	8192281.5	8461901	16498471	10526454	23161518	9301561	8592702	83785.38	7502118.5	7764714	6764050.5	5087650.5	12930224	14790192	5120547	5950532	9078675	9100237	3846815	5669819.5	7214667.5	4200108	4056224	7141197.5	7885036.5	4884292	4354615.5	5693582	6059953.5	4752854.5	12245455	7133188	20170346	5625896	11884560	5330022.5	13731309	8135861.5	1569025	1990783.38	5097489.5	12644555	8033412	15437296	10675636	10269718	11003995	9297119	13424640	5876472.5	11294219	9066059	6225564	1860575	6148041.5	3844876.75	4451208.5	9505446	1553827.62	5601393.5	7945610.5	14702816	5678497.5	4467208.5	3334416.75	2779626	4624946	8412811	8390837	5198430.5	5982966.5	6265954.5	1746361.12	7266992	6159736	16907386
FA(20:3)	6560284	9371869	15309573	12897679	16288479	12198301	13226937	11312224	10728647	5593924	10186321	7820176.5	22949638	10384476	12136285	8087880.5	5318431.5	7450570.5	11113601	10221703	13552963	8101202	9665139	7468318	10334440	15578.89	7936477.5	9844940	1996179.62	7894756	8048111.5	8196977.5	4495319.5	12378952	9634575	6650984	6422748.5	1779044.5	7818293.5	5081376.5	6110233.5	7771341.5	9831640	7302484.5	7459394.5	4414956.5	7355322.5	4142668.75	8033305.5	9270587	13185129	8108505.5	7872391.5	4950876.5	12091684	13376719	1794642.62	2911150.75	5522893.5	14996163	9215636	16865458	10105494	5665368	9175974	9758957	10956344	7440785.5	14965760	12565596	9312192	3392095.75	3975334.75	4415424.5	3410622	14820720	3273608.75	9775253	7388311.5	17398308	6920844	3878824	4594466	3378296.75	5136159.5	8831077	11271783	7327988.5	12148056	9569693	2162499.75	11608687	7930334.5	19546714
FA(22:5)	1788974.62	2221533.25	4332743.5	2504793.5	3935286.25	2169860.25	1908798	2643453	4909064.5	1383364.25	3992857	2236786	8653943	3645504.75	3739897.25	2022414.62	1083713.38	541993	3549202.75	2934070.75	4413968.5	4612804	8434235	3319134	3045705	0	3810502	4235783	978018.81	2268396.25	1393933.5	6606563.5	665221.69	3401123.75	2590134.5	2996143.25	2058494.88	496089.38	2840678	1663101	1674004.38	2648225.25	3458261.25	2392456.75	1870882.62	1600468.62	2477382.5	1598302.38	3362569.25	2271398.75	3745440.75	2295917.75	3496224	1762178.5	4128287.75	4547147.5	539600.75	751654.69	550985.31	4565523.5	3597802	4305389.5	3535107.25	3863699.25	2151250.75	3874273.25	1601452.12	2891248.25	1934323.5	4110608	2472658.25	553774.19	1977425	1356306.25	1419167.38	4797940.5	721258	2214612	3751838.25	7230704	1992026.38	1583696	835836.75	574052.19	1391208.25	3340643.25	4327401.5	2180984	2547483.25	3795448.25	595796.31	3669573.75	1482202.38	3678840.75
Sphingosine 1-phosphate	2009662.12	1800835	2106831.75	2529774.75	1545103.62	1957375.38	2216424.75	1864987.88	1456007.12	1675149.38	1891927.38	1503996.62	1142950.12	1541985	1699183.38	1590904	1668152	1338943.12	1771059	1763039.38	1487938.12	1459180.38	2093668.62	1062094	1383317.62	453002.47	963077.5	1139220	1362084.62	1604474.38	1464050.5	1401472.12	1780031	1564725.5	1453377.62	1662878.62	1294457	1374447.38	1702817.38	1081102.62	1612829	2058114	1647414.62	1805347.88	1402056	983756.25	1938418.88	1927261.62	1314117.88	1861580.38	1995808.5	1808204.12	2173656	1730708.62	1483478	1681726.62	1325428	2379171	1751856.62	2611010	1732436.12	1820625	1968140.12	1412272.62	1885969.38	1528361.12	1905789.5	1882615.62	1814993.5	1450571	1455109.5	1501100.5	1765221	2129769.25	1764936.62	1980666.62	1082524.38	2039795.38	1496741	2855208.75	1597036.88	2183988	2202353.75	1262127.38	1802545.62	1998652.12	1470604.12	1742975.5	1383125.62	1994122.62	1508573.5	1798705.88	1601304.5	1884951
Sphinganine 1-phosphate	221454.52	257819.2	252087.98	325890.16	245385.42	337987.34	246042.89	328546.28	239774.23	288520.5	256035.88	255065.25	438695.59	261757.62	306036.22	251447.7	267489.28	234889.75	279709.22	268841.41	252587.58	313013.5	309608.84	258642.05	324069.75	73474.91	220432.17	246118.36	245683.11	221677.56	280108.19	303885.66	210793.92	355190.88	243029.12	270480.84	305921.88	205858.62	165983.86	224397.08	203034.95	275741.75	221523.58	219574.17	216317.08	209326.12	224040.05	262689.34	367864.62	278364.28	321333.09	286151.22	251115.39	235370.64	214155.56	221554.02	141715.75	253624.05	296916.66	422360.41	228703.75	348719.91	279792.12	228059.67	263069.47	283672.75	237441.17	236405.17	328347.41	255085.14	224739.67	227814.55	200435.69	238552.55	221239.83	284005	186580.55	291065.28	227909	439684.62	233040.52	207736.23	313456.34	179815.3	228021	292612.03	297287.03	193179.31	295134.88	261632.02	201128.3	211260.14	225399.88	361320.78
3-Phospho-D-glyceroyl phosphate	42417.79	20979.75	26079.83	46038.51	43081.75	17146.87	26901.21	53638.01	34986.11	50973.57	53985.29	28831.47	43650.31	17260.81	47953.9	21923.11	31801.31	25793.41	68441	22598.49	22872.17	26124.37	64076.77	25024.13	48532.6	41304.41	43193.05	35129.35	44148.78	43334.72	24481.48	30873.79	45575.46	22274.21	25297.5	26463.85	47247.28	29966.12	69626.96	28302.72	32663.71	42084.86	65161.25	41227.43	28498.44	43343.99	21959.15	56299.72	46872.58	25036.4	43698.31	37573.61	24801.36	23861.76	62957.48	41617.02	26136.6	42585.6	26192.62	25085.54	85055.3	66629.34	51651.12	69025.71	60317.44	26134.02	21257.17	39644.9	52078.28	46017.99	33668.35	59796.06	24629.61	51394.57	36380.17	50368.73	61486.9	44843.96	28619.77	29735.34	42779.75	31932.39	41256.38	30474.31	28666.23	32018.19	26787.73	65858.32	23182.23	51802.96	46279.78	58921.39	58864.71	41697.24
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	CmpdID	Pathway	m/z	RT	Polarity
L-aspartate	C00049	Amino acids	132.030	0.634	[M-H]-
L-cysteine	C00097	Amino acids	120.013	0.639	[M-H]-
glycine	C00037	Amino acids	74.025	0.690	[M-H]-
L-histidine	C00135	Amino acids	154.062	0.693	[M-H]-
L-serine	C00065	Amino acids	104.035	0.676	[M-H]-
L-threonine	C00188	Amino acids	118.051	0.682	[M-H]-
L-cystine	C00491	Amino acids	239.016	0.659	[M-H]-
ATP	C00002	Nucleotides	505.980	0.750	[M-H]-
dAMP	C00360	Nucleotides	330.057	0.702	[M-H]-
Adenine	C00147	Nucleotides	134.047	0.705	[M-H]-
CTP	C00063	Nucleotides	481.983	0.755	[M-H]-
dCMP	C00239	Nucleotides	306.055	0.703	[M-H]-
Thymidine	C00214	Nucleotides	241.082	0.691	[M-H]-
UDP	C00015	Nucleotides	403.000	0.775	[M-H]-
Uracil	C00106	Nucleotides	111.020	0.662	[M-H]-
Urate	C00366	Nucleotides	167.021	0.678	[M-H]-
5-Hydroxyisourate	C11821	Nucleotides	183.016	0.624	[M-H]-
(S)(+)-Allantoin	C02350	Nucleotides	157.038	0.652	[M-H]-
2',3'-Cyclic CMP	C02354	Nucleotides	304.039	0.705	[M-H]-
Pyridoxamine 5'-phosphate	C00647	Nucleotides	247.045	1.790	[M-H]-
UDP-glucose	C00029	Nucleotides	565.053	0.743	[M-H]-
NAD+	C00003	Nucleotides	662.098	0.709	[M-H]-
NADH	C00004	Nucleotides	664.120	0.657	[M-H]-
Phosphate	C00009	Phosphates	96.970	0.635	[M-H]-
D-Glucose	C00031	Glycolysis	179.056	0.682	[M-H]-
D-Hexose-phosphate	C02965	Glycolysis	259.023	0.618	[M-H]-
D-Fructose 1-6-bisphosphate	C00354	Glycolysis	338.993	0.677	[M-H]-
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	Glycolysis	168.990	0.654	[M-H]-
1-3-Bisphosphoglycerate	C00236	Glycolysis	264.953	0.741	[M-H]-
2/3-Phospho-D-glycerate	C00631	Glycolysis	184.986	0.586	[M-H]-
Pyruvate	C00022	Glycolysis	87.009	0.678	[M-H]-
Lactate	C01432	Glycolysis	89.024	0.669	[M-H]-
Maltose/Sucrose	C00208	Other sugars	341.109	0.691	[M-H]-
Mannitol/Sorbitol/Glucitol/Iditol	C00392	Other sugars	181.072	0.691	[M-H]-
Ribose/Ribulose/Arabinose/Xylose/Xylulose	C00121	Other sugars	149.045	0.679	[M-H]-
D-Rhamnose	C01684	Other sugars	163.061	0.700	[M-H]-
D-Arabitol/Xylitol/Ribitol	C01904	Other sugars	151.061	0.690	[M-H]-
Citrate	C00158	TCA cycle	191.020	0.608	[M-H]-
2-Oxoglutarate	C00026	TCA cycle	145.014	0.607	[M-H]-
Succinate	C00042	TCA cycle	117.020	0.633	[M-H]-
Fumarate	C00122	TCA cycle	115.004	0.627	[M-H]-
Malate	C00149	TCA cycle	133.014	0.606	[M-H]-
Oxaloacetate	C00036	TCA cycle	130.999	0.613	[M-H]-
2-Hydroxyglutarate	C02630	Alternative Carboxylic acids	147.030	0.620	[M-H]-
6-Phospho-D-gluconate	C00345	Pentose Phosphate Pathway	275.013	0.692	[M-H]-
S-Glutathionyl-L-cysteine	C05526	GSH homeostasis	425.081	0.626	[M-H]-
Cys-Gly	C01419	GSH homeostasis	177.033	0.645	[M-H]-
Ascorbate	C00072	GSH homeostasis	175.025	0.657	[M-H]-
Dehydroascorbate	C05422	GSH homeostasis	173.009	0.606	[M-H]-
5-L-Glutamyl-taurine	C05844	Gamma-glutamyls	253.049	0.644	[M-H]-
Tetrahydrofolate	C00101	Folate pool (One carbon metabolism)	444.160	1.814	[M-H]-
10-Formyltetrahydrofolate	C00234	Folate pool (One carbon metabolism)	472.166	0.702	[M-H]-
Argininosuccinate	C03406	Urea cycle	289.116	0.627	[M-H]-
N-Acetylneuraminate	C00270	Aminosugars	308.099	0.633	[M-H]-
N-Glycoloyl-neuraminate	C03410	Aminosugars	324.094	1.910	[M-H]-
UDP-N-acetyl-D-glucosamine	C00043	Aminosugars	606.074	0.692	[M-H]-
Glycolate	C00160	Aminosugars	75.009	0.729	[M-H]-
Homocarnosine	C00884	Arginine and proline metabolism	239.115	2.114	[M-H]-
Carnosine	C00386	Arginine and proline metabolism	225.098	0.704	[M-H]-
Phosphocreatine	C02305	Arginine and proline metabolism	210.029	0.609	[M-H]-
N-Succinyl-L-glutamate 5-semialdehyde	C05932	Arginine and proline metabolism	230.065	0.660	[M-H]-
Pantothenate	C00864	Panthothenate metabolism	218.103	0.701	[M-H]-
D-4--Phosphopantothenate	C03492	Panthothenate metabolism	298.073	1.941	[M-H]-
Pantetheine 4--phosphate	C01134	Panthothenate metabolism	357.083	2.298	[M-H]-
3-Sulfino-L-alanine	C00606	Sulfur metabolism	152.002	0.631	[M-H]-
Thiocysteine	C01962	Sulfur metabolism	151.984	0.645	[M-H]-
3-Sulfocatechol	C06336	Sulfur metabolism	188.986	0.702	[M-H]-
L-Cysteate	C00506	Sulfur metabolism	167.997	0.728	[M-H]-
5-Hydroxyindoleacetate	C05635	Indole and Tryptophan	190.051	1.993	[M-H]-
3-Methyldioxyindole	C05834	Indole and Tryptophan	162.056	1.854	[M-H]-
Indole	C00463	Indole and Tryptophan	116.051	1.773	[M-H]-
Indole-3-acetate	C00954	Indole and Tryptophan	174.058	1.779	[M-H]-
Indolepyruvate	C00331	Indole and Tryptophan	202.051	1.774	[M-H]-
Indoxyl	C05658	Indole and Tryptophan	132.045	1.796	[M-H]-
6-Hydroxykynurenic acid	C08480	Indole and Tryptophan	204.033	0.624	[M-H]-
Quinolinic acid	C03722	Indole and Tryptophan	166.014	0.682	[M-H]-
N-formyl kynurenine	C02700	Indole and Tryptophan	235.070	0.705	[M-H]-
2-Aminomuconate	C02220	Indole and Tryptophan	156.028	0.688	[M-H]-
Hydroxyindole-acetylglycine	C05832	Indole and Tryptophan	247.072	1.798	[M-H]-
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione	C04287	Inositol	159.030	0.681	[M-H]-
Glycerol 3-phosphate	C00093	Glycerophospholipid biosynthesis	171.006	0.633	[M-H]-
Phosphoethanolamine	C00346	Glycerophospholipid biosynthesis	140.011	0.659	[M-H]-
N-Methylethanolamine phosphate	C01210	Glycerophospholipid biosynthesis	154.026	0.689	[M-H]-
FA(4:0)	C00246	Saturated Fatty acids	87.045	0.715	[M-H]-
FA(5:0)	C00803	Saturated Fatty acids	101.061	0.707	[M-H]-
FA(6:0)	C01585	Saturated Fatty acids	115.076	1.826	[M-H]-
FA(7:0)	C17714	Saturated Fatty acids	129.092	1.890	[M-H]-
FA(8:0)	C06423	Saturated Fatty acids	143.108	1.953	[M-H]-
FA(9:0)	C01601	Saturated Fatty acids	157.123	2.180	[M-H]-
FA(10:0)	C01571	Saturated Fatty acids	171.139	2.272	[M-H]-
FA(12:0)	C02679	Saturated Fatty acids	199.170	2.466	[M-H]-
FA(14:0)	C06424	Saturated Fatty acids	227.202	2.732	[M-H]-
FA(16:0)	C00249	Saturated Fatty acids	255.233	3.134	[M-H]-
FA(18:0)	C01530	Saturated Fatty acids	283.265	3.850	[M-H]-
FA(14:1)	C08322	Monounsaturated Fatty Acids	225.186	2.513	[M-H]-
FA(16:1)	C08362	Monounsaturated Fatty Acids	253.217	2.785	[M-H]-
FA(18:1)	C00712	Monounsaturated Fatty Acids	281.249	3.179	[M-H]-
FA(18:2)	C01595	Poly-unsaturated Fatty Acids	279.233	2.862	[M-H]-
FA(18:3)	C06427	Poly-unsaturated Fatty Acids	277.218	2.620	[M-H]-
FA(20:4)	C00219	Poly-unsaturated Fatty Acids	303.233	2.730	[M-H]-
FA(20:5)	C06428	Poly-unsaturated Fatty Acids	301.218	2.572	[M-H]-
FA(22:6)	C06429	Poly-unsaturated Fatty Acids	327.233	2.630	[M-H]-
FA(20:3)	C03242	Essential fatty acids	305.249	2.916	[M-H]-
FA(22:5)	C16513	Essential fatty acids	329.249	2.757	[M-H]-
Sphingosine 1-phosphate	C06124	Sphingolipid biosynthesis	378.242	3.847	[M-H]-
Sphinganine 1-phosphate	C01120	Sphingolipid biosynthesis	380.256	3.850	[M-H]-
3-Phospho-D-glyceroyl phosphate	C00236	Other	264.953	0.741	[M-H]-
METABOLITES_END
#END