#METABOLOMICS WORKBENCH juliehaines_20210330_071304_mwtab.txt DATATRACK_ID:2549 STUDY_ID:ST001736 ANALYSIS_ID:AN002826 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	March 30, 2021, 7:26 am
#PROJECT
PR:PROJECT_TITLE                 	The COVIDome Explorer Researcher Portal
PR:PROJECT_SUMMARY               	COVID-19 pathology involves dysregulation of diverse molecular, cellular, and
PR:PROJECT_SUMMARY               	physiological processes. In order to expedite integrated and collaborative
PR:PROJECT_SUMMARY               	COVID-19 research, we completed multi-omics analysis of hospitalized COVID-19
PR:PROJECT_SUMMARY               	patients including matched analysis of the whole blood transcriptome, plasma
PR:PROJECT_SUMMARY               	proteomics with two complementary platforms, cytokine profiling, plasma and red
PR:PROJECT_SUMMARY               	blood cell metabolomics, deep immune cell phenotyping by mass cytometry, and
PR:PROJECT_SUMMARY               	clinical data annotation. We refer to this multidimensional dataset as the
PR:PROJECT_SUMMARY               	COVIDome. We then created the COVIDome Explorer, an online researcher portal
PR:PROJECT_SUMMARY               	where the data can be analyzed and visualized in real time. We illustrate here
PR:PROJECT_SUMMARY               	the use of the COVIDome dataset through a multi-omics analysis of biosignatures
PR:PROJECT_SUMMARY               	associated with C-reactive protein (CRP), an established marker of poor
PR:PROJECT_SUMMARY               	prognosis in COVID-19, revealing associations between CRP levels and
PR:PROJECT_SUMMARY               	damage-associated molecular patterns, depletion of protective serpins, and
PR:PROJECT_SUMMARY               	mitochondrial metabolism dysregulation. We expect that the COVIDome Explorer
PR:PROJECT_SUMMARY               	will rapidly accelerate data sharing, hypothesis testing, and discoveries
PR:PROJECT_SUMMARY               	worldwide.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	The COVIDome Explorer Researcher Portal
ST:STUDY_SUMMARY                 	COVID-19 pathology involves dysregulation of diverse molecular, cellular, and
ST:STUDY_SUMMARY                 	physiological processes. In order to expedite integrated and collaborative
ST:STUDY_SUMMARY                 	COVID-19 research, we completed multi-omics analysis of hospitalized COVID-19
ST:STUDY_SUMMARY                 	patients including matched analysis of the whole blood transcriptome, plasma
ST:STUDY_SUMMARY                 	proteomics with two complementary platforms, cytokine profiling, plasma and red
ST:STUDY_SUMMARY                 	blood cell metabolomics, deep immune cell phenotyping by mass cytometry, and
ST:STUDY_SUMMARY                 	clinical data annotation. We refer to this multidimensional dataset as the
ST:STUDY_SUMMARY                 	COVIDome. We then created the COVIDome Explorer, an online researcher portal
ST:STUDY_SUMMARY                 	where the data can be analyzed and visualized in real time. We illustrate here
ST:STUDY_SUMMARY                 	the use of the COVIDome dataset through a multi-omics analysis of biosignatures
ST:STUDY_SUMMARY                 	associated with C-reactive protein (CRP), an established marker of poor
ST:STUDY_SUMMARY                 	prognosis in COVID-19, revealing associations between CRP levels and
ST:STUDY_SUMMARY                 	damage-associated molecular patterns, depletion of protective serpins, and
ST:STUDY_SUMMARY                 	mitochondrial metabolism dysregulation. We expect that the COVIDome Explorer
ST:STUDY_SUMMARY                 	will rapidly accelerate data sharing, hypothesis testing, and discoveries
ST:STUDY_SUMMARY                 	worldwide.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0043	COVID_Status:Positive | Sex:Male | Age:21	RAW_FILE_NAME=COV2-40
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0067	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-72
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0092	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-101
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0085	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-92
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0101	COVID_Status:Positive | Sex:Male | Age:20	RAW_FILE_NAME=COV2-113
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0057	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-58
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0026	COVID_Status:Positive | Sex:Female | Age:53	RAW_FILE_NAME=COV2-19
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0052	COVID_Status:Negative | Sex:Male | Age:43	RAW_FILE_NAME=COV2-53
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0098	COVID_Status:Positive | Sex:Male | Age:61	RAW_FILE_NAME=COV2-110
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0049	COVID_Status:Positive | Sex:Male | Age:50	RAW_FILE_NAME=COV2-50
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0039	COVID_Status:Negative | Sex:Female | Age:38	RAW_FILE_NAME=COV2-35
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0087	COVID_Status:Positive | Sex:Female | Age:21	RAW_FILE_NAME=COV2-94
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0047	COVID_Status:Positive | Sex:Male | Age:59	RAW_FILE_NAME=COV2-47
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0070	COVID_Status:Positive | Sex:Male | Age:69	RAW_FILE_NAME=COV2-75
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0089	COVID_Status:Positive | Sex:Male | Age:60	RAW_FILE_NAME=COV2-97
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0002	COVID_Status:Positive | Sex:Female | Age:44	RAW_FILE_NAME=COV2-22
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0084	COVID_Status:Negative | Sex:Male | Age:25	RAW_FILE_NAME=COV2-91
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0035	COVID_Status:Positive | Sex:Female | Age:23	RAW_FILE_NAME=COV2-30
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0088	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-96
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0024	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-16
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0056	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-57
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0082	COVID_Status:Negative | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-89
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0081	COVID_Status:Negative | Sex:Male | Age:25	RAW_FILE_NAME=COV2-88
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0086	COVID_Status:Negative | Sex:Male | Age:23	RAW_FILE_NAME=COV2-93
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0062	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-66
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0031	COVID_Status:Negative | Sex:Male | Age:50	RAW_FILE_NAME=COV2-26
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0095	COVID_Status:Negative | Sex:Female | Age:76	RAW_FILE_NAME=COV2-106
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0019	COVID_Status:Positive | Sex:Female | Age:60	RAW_FILE_NAME=COV2-07
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0102	COVID_Status:Positive | Sex:Female | Age:57	RAW_FILE_NAME=COV2-114
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0045	COVID_Status:Positive | Sex:Female | Age:46	RAW_FILE_NAME=COV2-42
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0003	COVID_Status:Positive | Sex:Female | Age:29	RAW_FILE_NAME=COV2-44
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0090	COVID_Status:Positive | Sex:Female | Age:43	RAW_FILE_NAME=COV2-98
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0096	COVID_Status:Positive | Sex:Male | Age:43	RAW_FILE_NAME=COV2-107
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0011	COVID_Status:Positive | Sex:Male | Age:79	RAW_FILE_NAME=COV2-17
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0046	COVID_Status:Positive | Sex:Male | Age:54	RAW_FILE_NAME=COV2-46
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0080	COVID_Status:Positive | Sex:Female | Age:35	RAW_FILE_NAME=COV2-86
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0071	COVID_Status:Positive | Sex:Female | Age:49	RAW_FILE_NAME=COV2-76
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0009	COVID_Status:Positive | Sex:Female | Age:25	RAW_FILE_NAME=COV2-103
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0059	COVID_Status:Positive | Sex:Male | Age:55	RAW_FILE_NAME=COV2-62
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0018	COVID_Status:Positive | Sex:Female | Age:45	RAW_FILE_NAME=COV2-05
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0029	COVID_Status:Positive | Sex:Male | Age:47	RAW_FILE_NAME=COV2-24
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0077	COVID_Status:Positive | Sex:Female | Age:49	RAW_FILE_NAME=COV2-83
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0065	COVID_Status:Positive | Sex:Male | Age:34	RAW_FILE_NAME=COV2-69
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0012	COVID_Status:Positive | Sex:Male | Age:42	RAW_FILE_NAME=COV2-45
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0041	COVID_Status:Positive | Sex:Male | Age:33	RAW_FILE_NAME=COV2-37
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0040	COVID_Status:Positive | Sex:Female | Age:61	RAW_FILE_NAME=COV2-36
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0075	COVID_Status:Positive | Sex:Female | Age:41	RAW_FILE_NAME=COV2-81
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0072	COVID_Status:Negative | Sex:Male | Age:67	RAW_FILE_NAME=COV2-77
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0063	COVID_Status:Negative | Sex:Female | Age:43	RAW_FILE_NAME=COV2-67
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0069	COVID_Status:Positive | Sex:Female | Age:56	RAW_FILE_NAME=COV2-74
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0028	COVID_Status:Negative | Sex:Female | Age:34	RAW_FILE_NAME=COV2-23
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0105	COVID_Status:Negative | Sex:Male | Age:59	RAW_FILE_NAME=COV2-118
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0022	COVID_Status:Positive | Sex:Female | Age:39	RAW_FILE_NAME=COV2-12
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0091	COVID_Status:Negative | Sex:Male | Age:35	RAW_FILE_NAME=COV2-100
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0083	COVID_Status:Negative | Sex:Male | Age:47	RAW_FILE_NAME=COV2-90
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0079	COVID_Status:Negative | Sex:Female | Age:34	RAW_FILE_NAME=COV2-85
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0021	COVID_Status:Positive | Sex:Male | Age:24	RAW_FILE_NAME=COV2-10
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0038	COVID_Status:Negative | Sex:Female | Age:39	RAW_FILE_NAME=COV2-33
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0093	COVID_Status:Negative | Sex:Male | Age:26	RAW_FILE_NAME=COV2-102
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0094	COVID_Status:Negative | Sex:Female | Age:31	RAW_FILE_NAME=COV2-104
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0006	COVID_Status:Negative | Sex:Female | Age:41	RAW_FILE_NAME=COV2-117
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0017	COVID_Status:Negative | Sex:Female | Age:36	RAW_FILE_NAME=COV2-04
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0044	COVID_Status:Negative | Sex:Female | Age:80	RAW_FILE_NAME=COV2-41
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0073	COVID_Status:Negative | Sex:Male | Age:54	RAW_FILE_NAME=COV2-78
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0023	COVID_Status:Negative | Sex:Male | Age:63	RAW_FILE_NAME=COV2-14
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0027	COVID_Status:Negative | Sex:Female | Age:36	RAW_FILE_NAME=COV2-20
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0097	COVID_Status:Negative | Sex:Male | Age:71	RAW_FILE_NAME=COV2-109
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0037	COVID_Status:Negative | Sex:Female | Age:30	RAW_FILE_NAME=COV2-32
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0048	COVID_Status:Negative | Sex:Male | Age:60	RAW_FILE_NAME=COV2-48
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0025	COVID_Status:Positive | Sex:Female | Age:56	RAW_FILE_NAME=COV2-18
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0076	COVID_Status:Negative | Sex:Male | Age:65	RAW_FILE_NAME=COV2-82
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0036	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-31
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0066	COVID_Status:Positive | Sex:Male | Age:under 20	RAW_FILE_NAME=COV2-71
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0050	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-51
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0078	COVID_Status:Positive | Sex:Female | Age:under 20	RAW_FILE_NAME=COV2-84
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0054	COVID_Status:Positive | Sex:Male | Age:46	RAW_FILE_NAME=COV2-55
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0109	COVID_Status:Positive | Sex:Male | Age:30	RAW_FILE_NAME=COV2-123
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0064	COVID_Status:Negative | Sex:Male | Age:66	RAW_FILE_NAME=COV2-68
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0014	COVID_Status:Positive | Sex:Female | Age:53	RAW_FILE_NAME=COV2-65
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0068	COVID_Status:Positive | Sex:Male | Age:52	RAW_FILE_NAME=COV2-73
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0030	COVID_Status:Positive | Sex:Male | Age:60	RAW_FILE_NAME=COV2-25
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0074	COVID_Status:Positive | Sex:Female | Age:61	RAW_FILE_NAME=COV2-80
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0061	COVID_Status:Positive | Sex:Male | Age:51	RAW_FILE_NAME=COV2-64
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0106	COVID_Status:Positive | Sex:Female | Age:21	RAW_FILE_NAME=COV2-119
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0100	COVID_Status:Positive | Sex:Female | Age:23	RAW_FILE_NAME=COV2-112
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0051	COVID_Status:Negative | Sex:Male | Age:42	RAW_FILE_NAME=COV2-52
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0008	COVID_Status:Positive | Sex:Female | Age:39	RAW_FILE_NAME=COV2-03
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0055	COVID_Status:Positive | Sex:Female | Age:54	RAW_FILE_NAME=COV2-56
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0016	COVID_Status:Positive | Sex:Male | Age:41	RAW_FILE_NAME=COV2-02
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0042	COVID_Status:Positive | Sex:Male | Age:55	RAW_FILE_NAME=COV2-38
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0020	COVID_Status:Positive | Sex:Male | Age:50	RAW_FILE_NAME=COV2-09
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0104	COVID_Status:Positive | Sex:Male | Age:79	RAW_FILE_NAME=COV2-116
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0033	COVID_Status:Positive | Sex:Female | Age:29	RAW_FILE_NAME=COV2-28
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0013	COVID_Status:Positive | Sex:Male | Age:42	RAW_FILE_NAME=COV2-49
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0108	COVID_Status:Positive | Sex:Male | Age:45	RAW_FILE_NAME=COV2-122
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0010	COVID_Status:Positive | Sex:Male | Age:71	RAW_FILE_NAME=COV2-95
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0005	COVID_Status:Positive | Sex:Male | Age:61	RAW_FILE_NAME=COV2-59
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0001	COVID_Status:Positive | Sex:Male | Age:77	RAW_FILE_NAME=COV2-08
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0007	COVID_Status:Positive | Sex:Male | Age:28	RAW_FILE_NAME=COV2-15
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0060	COVID_Status:Positive | Sex:Female | Age:38	RAW_FILE_NAME=COV2-63
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0004	COVID_Status:Negative | Sex:Male | Age:38	RAW_FILE_NAME=COV2-34
SUBJECT_SAMPLE_FACTORS           	-	CUcovID_0107	COVID_Status:Positive | Sex:Male | Age:26	RAW_FILE_NAME=COV2-120
#COLLECTION
CO:COLLECTION_SUMMARY            	Study design, participant recruitment, and clinical data capture. Research
CO:COLLECTION_SUMMARY            	participants were recruited and consented for participation in the COVID Biobank
CO:COLLECTION_SUMMARY            	of the University of Colorado Anschutz Medical Campus [Colorado Multiple
CO:COLLECTION_SUMMARY            	Institutional Review Board (COMIRB) Protocol # 20-0685]. Data was generated from
CO:COLLECTION_SUMMARY            	deidentified biospecimens and linked to demographics and clinical metadata
CO:COLLECTION_SUMMARY            	procured through the Health Data Compass of the University of Colorado under
CO:COLLECTION_SUMMARY            	COMIRB Protocol # 20-1700. Participants were hospitalized either at Children’s
CO:COLLECTION_SUMMARY            	Hospital Colorado or the University of Colorado Hospital. COVID-19 status was
CO:COLLECTION_SUMMARY            	defined by a positive PCR reaction and/or antibody test. Cohort characteristics
CO:COLLECTION_SUMMARY            	can be found in Supp. File 1. METHOD DETAILS. Blood processing. Blood samples
CO:COLLECTION_SUMMARY            	were collected into EDTA tubes, PAXgene RNA, and sodium heparin tubes. After
CO:COLLECTION_SUMMARY            	centrifugation, EDTA plasma was used for MS proteomics, SOMAscan® proteomics,
CO:COLLECTION_SUMMARY            	as well as multiplex immunoassays using MSD technology for both cytokine
CO:COLLECTION_SUMMARY            	profiles and seroconversion assays. From sodium heparin tubes, PBMCs were
CO:COLLECTION_SUMMARY            	obtained by the Ficoll gradient method before cryopreservation and assembly of
CO:COLLECTION_SUMMARY            	batches for MC analysis.
CO:SAMPLE_TYPE                   	Blood (plasma)
#TREATMENT
TR:TREATMENT_SUMMARY             	n/a
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were thawed on ice and extracted via a modified Folch method
SP:SAMPLEPREP_SUMMARY            	(chloroform/methanol/water 8:4:3), which completely inactivates other
SP:SAMPLEPREP_SUMMARY            	coronaviruses, such as MERS-CoV. Briefly, 20 μL of sample was diluted in 130
SP:SAMPLEPREP_SUMMARY            	μL of LC-MS grade water, 600 μL of ice-cold chloroform/methanol (2:1) was
SP:SAMPLEPREP_SUMMARY            	added, and the samples were vortexed for 10 seconds. Samples were then incubated
SP:SAMPLEPREP_SUMMARY            	at 4°C for 5 minutes, quickly vortexed (5 seconds), and centrifuged at 14,000 g
SP:SAMPLEPREP_SUMMARY            	for 10 minutes at 4°C. The top (i.e., aqueous) phase was transferred to a new
SP:SAMPLEPREP_SUMMARY            	tube for metabolomics analysis and flash frozen. The bottom (i.e., organic)
SP:SAMPLEPREP_SUMMARY            	phase was transferred to a new tube for lipidomics analysis, then dried under N2
SP:SAMPLEPREP_SUMMARY            	flow. UHPLC-MS metabolomics. Analyses were performed using a Vanquish UHPLC
SP:SAMPLEPREP_SUMMARY            	coupled online to a Q Exactive high resolution mass spectrometer (Thermo Fisher
SP:SAMPLEPREP_SUMMARY            	Scientific, Bremen, Germany). Samples (10 uL per injection) were randomized and
SP:SAMPLEPREP_SUMMARY            	analyzed in positive and negative electrospray ionization modes (separate runs)
SP:SAMPLEPREP_SUMMARY            	using a 5-minute C18 gradient on a Kinetex C18 column (Phenomenex) as described
SP:SAMPLEPREP_SUMMARY            	(Nemkov et al., 2019). Data were analyzed using Maven (Princeton University,
SP:SAMPLEPREP_SUMMARY            	Princeton, NJ, USA) in conjunction with the KEGG database and an in-house
SP:SAMPLEPREP_SUMMARY            	standard library.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	After sample randomization, 10 μL of extracts were injected into a Thermo
CH:CHROMATOGRAPHY_SUMMARY        	Vanquish UHPLC system (San Jose, CA, USA) and resolved on a Kinetex C18 column
CH:CHROMATOGRAPHY_SUMMARY        	(150 × 2.1 mm, 1.7 μm, Phenomenex, Torrance, CA, USA) at 450 μL/min through a
CH:CHROMATOGRAPHY_SUMMARY        	5 min gradient from 5 to 95% organic solvent B (mobile phases: A = water, 0.1%
CH:CHROMATOGRAPHY_SUMMARY        	formic acid; B = acetonitrile, 0.1% formic acid) in positive ion mode. Solvent
CH:CHROMATOGRAPHY_SUMMARY        	gradient: 0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B,
CH:CHROMATOGRAPHY_SUMMARY        	2.75-3 min 95-5% B, 3-5 min hold at 5% B.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 2.1 x 150 mm, 1.7 um
CH:FLOW_RATE                     	450 ul/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms,
MS:MS_COMMENTS                   	microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV,
MS:MS_COMMENTS                   	capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas
MS:MS_COMMENTS                   	0 (all nitrogen).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	CUcovID_0043	CUcovID_0067	CUcovID_0092	CUcovID_0085	CUcovID_0101	CUcovID_0057	CUcovID_0026	CUcovID_0052	CUcovID_0098	CUcovID_0049	CUcovID_0039	CUcovID_0087	CUcovID_0047	CUcovID_0070	CUcovID_0089	CUcovID_0002	CUcovID_0084	CUcovID_0035	CUcovID_0088	CUcovID_0024	CUcovID_0056	CUcovID_0082	CUcovID_0081	CUcovID_0086	CUcovID_0062	CUcovID_0031	CUcovID_0095	CUcovID_0019	CUcovID_0102	CUcovID_0045	CUcovID_0003	CUcovID_0090	CUcovID_0096	CUcovID_0011	CUcovID_0046	CUcovID_0080	CUcovID_0071	CUcovID_0009	CUcovID_0059	CUcovID_0018	CUcovID_0029	CUcovID_0077	CUcovID_0065	CUcovID_0012	CUcovID_0041	CUcovID_0040	CUcovID_0075	CUcovID_0072	CUcovID_0063	CUcovID_0069	CUcovID_0028	CUcovID_0105	CUcovID_0022	CUcovID_0091	CUcovID_0083	CUcovID_0079	CUcovID_0021	CUcovID_0038	CUcovID_0093	CUcovID_0094	CUcovID_0006	CUcovID_0017	CUcovID_0044	CUcovID_0073	CUcovID_0023	CUcovID_0027	CUcovID_0097	CUcovID_0037	CUcovID_0048	CUcovID_0025	CUcovID_0076	CUcovID_0036	CUcovID_0066	CUcovID_0050	CUcovID_0078	CUcovID_0054	CUcovID_0109	CUcovID_0064	CUcovID_0014	CUcovID_0068	CUcovID_0030	CUcovID_0074	CUcovID_0061	CUcovID_0106	CUcovID_0100	CUcovID_0051	CUcovID_0008	CUcovID_0055	CUcovID_0016	CUcovID_0042	CUcovID_0020	CUcovID_0104	CUcovID_0033	CUcovID_0013	CUcovID_0108	CUcovID_0010	CUcovID_0005	CUcovID_0001	CUcovID_0007	CUcovID_0060	CUcovID_0004	CUcovID_0107
Factors	COVID_Status:Positive | Sex:Male | Age:21	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:53	COVID_Status:Negative | Sex:Male | Age:43	COVID_Status:Positive | Sex:Male | Age:61	COVID_Status:Positive | Sex:Male | Age:50	COVID_Status:Negative | Sex:Female | Age:38	COVID_Status:Positive | Sex:Female | Age:21	COVID_Status:Positive | Sex:Male | Age:59	COVID_Status:Positive | Sex:Male | Age:69	COVID_Status:Positive | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:44	COVID_Status:Negative | Sex:Male | Age:25	COVID_Status:Positive | Sex:Female | Age:23	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:25	COVID_Status:Negative | Sex:Male | Age:23	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Negative | Sex:Male | Age:50	COVID_Status:Negative | Sex:Female | Age:76	COVID_Status:Positive | Sex:Female | Age:60	COVID_Status:Positive | Sex:Female | Age:57	COVID_Status:Positive | Sex:Female | Age:46	COVID_Status:Positive | Sex:Female | Age:29	COVID_Status:Positive | Sex:Female | Age:43	COVID_Status:Positive | Sex:Male | Age:43	COVID_Status:Positive | Sex:Male | Age:79	COVID_Status:Positive | Sex:Male | Age:54	COVID_Status:Positive | Sex:Female | Age:35	COVID_Status:Positive | Sex:Female | Age:49	COVID_Status:Positive | Sex:Female | Age:25	COVID_Status:Positive | Sex:Male | Age:55	COVID_Status:Positive | Sex:Female | Age:45	COVID_Status:Positive | Sex:Male | Age:47	COVID_Status:Positive | Sex:Female | Age:49	COVID_Status:Positive | Sex:Male | Age:34	COVID_Status:Positive | Sex:Male | Age:42	COVID_Status:Positive | Sex:Male | Age:33	COVID_Status:Positive | Sex:Female | Age:61	COVID_Status:Positive | Sex:Female | Age:41	COVID_Status:Negative | Sex:Male | Age:67	COVID_Status:Negative | Sex:Female | Age:43	COVID_Status:Positive | Sex:Female | Age:56	COVID_Status:Negative | Sex:Female | Age:34	COVID_Status:Negative | Sex:Male | Age:59	COVID_Status:Positive | Sex:Female | Age:39	COVID_Status:Negative | Sex:Male | Age:35	COVID_Status:Negative | Sex:Male | Age:47	COVID_Status:Negative | Sex:Female | Age:34	COVID_Status:Positive | Sex:Male | Age:24	COVID_Status:Negative | Sex:Female | Age:39	COVID_Status:Negative | Sex:Male | Age:26	COVID_Status:Negative | Sex:Female | Age:31	COVID_Status:Negative | Sex:Female | Age:41	COVID_Status:Negative | Sex:Female | Age:36	COVID_Status:Negative | Sex:Female | Age:80	COVID_Status:Negative | Sex:Male | Age:54	COVID_Status:Negative | Sex:Male | Age:63	COVID_Status:Negative | Sex:Female | Age:36	COVID_Status:Negative | Sex:Male | Age:71	COVID_Status:Negative | Sex:Female | Age:30	COVID_Status:Negative | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:56	COVID_Status:Negative | Sex:Male | Age:65	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Male | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Female | Age:under 20	COVID_Status:Positive | Sex:Male | Age:46	COVID_Status:Positive | Sex:Male | Age:30	COVID_Status:Negative | Sex:Male | Age:66	COVID_Status:Positive | Sex:Female | Age:53	COVID_Status:Positive | Sex:Male | Age:52	COVID_Status:Positive | Sex:Male | Age:60	COVID_Status:Positive | Sex:Female | Age:61	COVID_Status:Positive | Sex:Male | Age:51	COVID_Status:Positive | Sex:Female | Age:21	COVID_Status:Positive | Sex:Female | Age:23	COVID_Status:Negative | Sex:Male | Age:42	COVID_Status:Positive | Sex:Female | Age:39	COVID_Status:Positive | Sex:Female | Age:54	COVID_Status:Positive | Sex:Male | Age:41	COVID_Status:Positive | Sex:Male | Age:55	COVID_Status:Positive | Sex:Male | Age:50	COVID_Status:Positive | Sex:Male | Age:79	COVID_Status:Positive | Sex:Female | Age:29	COVID_Status:Positive | Sex:Male | Age:42	COVID_Status:Positive | Sex:Male | Age:45	COVID_Status:Positive | Sex:Male | Age:71	COVID_Status:Positive | Sex:Male | Age:61	COVID_Status:Positive | Sex:Male | Age:77	COVID_Status:Positive | Sex:Male | Age:28	COVID_Status:Positive | Sex:Female | Age:38	COVID_Status:Negative | Sex:Male | Age:38	COVID_Status:Positive | Sex:Male | Age:26
(5-L-Glutamyl)-L-glutamine	1062875	608555	510671	898210	3045364	310928	190205	793916	1417792	1295552	523163	1313353	765181	386005	648742	294770	253476	673828	173589	898278	644022	970864	969002	321077	444130	711714	1291020	481254	642687	382016	484763	647231	192039	418672	377023	1648216	498559	508300	146229	484769	297665	616300	394389	850577	160105	598632	1338665	936550	545485	879304	715361	814855	808359	203251	261728	652804	431036	428322	1520783	865884	1553099	454773	93616	576484	612395	611485	358072	333491	461681	316253	693054	373327	213460	32565	672177	336618	1033329	974323	2348337	649565	396980	306012	296211	1067717	473609	409410	425383	271415	106404	598675	724374	250603	819087	500703	672165	325952	1205603	285972	227506	630299	689041	16691
(S)(+)-Allantoin	47508	43194	37945	54509	41546	40819	20028	48884	45784	30521	21658	59646	27722	68239	44990	38802	51140	54550	29642	32578	37300	80866	29364	26274	42866	59723	69756	33854	46941	31135	42422	32774	35946	31402	50031	43554	48720	44384	40526	19156	32881	36455	28171	49507	29841	62113	40432	47112	21881	37681	35356	47940	45642	53115	36302	80841	30157	41688	52789	71418	133323	36665	40626	45272	48789	48105	88576	34411	43467	28720	71402	38711	37823	26392	18650	42523	45273	64008	61721	42834	39573	49281	26063	65991	19560	56443	21834	33790	50540	31871	20585	54060	41905	34986	74840	34390	33748	18263	46918	28471	53423	39485
3-Methyleneoxindole	13119240	11015480	7306042	10226190	2710116	9674177	4100002	7626596	8240656	13065940	11646230	8218204	12818340	10202550	8292646	4216853	2894037	10185940	5189151	5595172	4622306	14439620	9832973	7500658	11950940	9427436	8565115	8819815	9455700	6273510	8434818	5014468	7903046	5801666	3254760	7388052	6137638	8663825	6842872	4712795	9515081	5480752	8708580	7658186	6291718	12099130	17253810	8960749	10447060	9333079	10236760	7785550	7720362	3840841	7076780	3935829	6900966	8659887	18715810	10306280	11618430	4056131	9712417	5931124	6512358	6381624	12048160	6546862	9193267	10354480	9125925	3112076	7038156	1596708	4253840	14374580	7618598	11408740	9012025	6259026	8477675	11832900	7852798	12981100	5501594	10427400	4268156	5437368	13324800	11586070	6622944	3818551	5494118	10525600	8949317	4474746	7961608	4468946	4072914	6044032	14596870	16193120
4-Acetamidobutanoate	108025	175273	85525	190472	54914	308578	151126	149658	126785	96957	127713	189742	162245	320402	175170	169767	123286	340843	152347	442239	238184	6614940	132884	1251130	201223	382757	331736	167934	403745	110035	147889	95110	331287	377802	416778	80925	469241	260497	62653	94239	195654	1601005	45229500	2431925	123809	519889	201488	241583	592752	239189	174195	104606	167991	1011927	230963	2917965	127779	104572	116941	116375	942768	66779	450944	158731	67464	991682	405318	125519	118779	180035	587285	149264	193934	185477	634995	90567	237319	725165	234747	165956	264178	211187	170804	255922	141293	362331	544286	85950	1357798	222868	93040	515757	452531	1952876	90276	554464	183237	212822	187398	148592	541177	183484
5-Hydroxyindoleacetate	305437	447688	152183	560987	91245	145562	209531	102209	241849	217950	116309	394703	288477	819646	211331	567989	159415	248687	124540	269989	848623	386673	155823	105904	198668	163146	508457	225615	260292	152753	380038	236705	304263	167387	315457	309460	139081	453928	424630	235578	455434	302398	332715	380387	257115	1196289	267268	222964	153486	152446	167248	226251	171851	318732	166531	236611	278083	236732	154972	275777	418278	95147	371422	116194	203754	665130	260290	61767	187872	168600	462789	1043194	448132	639789	255317	401620	230515	359648	366507	343029	309941	389342	271292	252735	181423	272191	222992	167804	358386	202768	174617	306218	183849	268385	175809	378517	336218	249686	90840	418559	324721	148257
5-Hydroxyisourate	684887	474576	667102	849531	2006336	461591	732404	660602	736552	638542	610086	915091	494633	365417	780590	438805	334155	626480	319368	592245	634729	454484	1562455	615962	1008415	488275	650604	284506	688052	289073	407690	770353	1363511	530149	495996	1045569	628901	618400	358587	406980	442551	817120	691754	495750	433872	561497	901961	688354	397216	1370105	786784	478279	746688	322041	636402	751227	454147	576509	1379225	953747	1998584	629671	1045384	519911	429976	609976	536411	391395	525743	384023	487878	398227	771399	327170	551425	535474	651084	616562	1026334	858356	245853	959848	460859	1116707	416177	327017	800880	445359	262049	530998	515234	372831	478587	984867	694627	496292	822645	290196	448531	1023431	499576	526660
Acetylcholine	2564848	2638007	1651655	2250396	2310461	2841130	3524700	3488152	5111382	4587481	4308428	2799761	4397436	5387586	2698502	2620918	3003347	2918449	2042952	1284027	7510668	1622981	3100323	2746038	4367934	4849066	2118545	2741993	5615958	5960344	3542598	1346112	3960507	3473115	6549186	6586144	1947398	1586845	5854744	2228706	5222720	2871909	4225208	2850843	1944097	4462616	2728216	3690823	2949397	4285000	5233015	2778167	1309123	11217220	3569859	4207036	6058038	2705950	5687888	4422794	4008404	2191356	6394502	4250236	4708772	4059371	4191388	1939660	1988389	2368163	3562263	4713818	4958328	3527880	1540586	6900668	3966159	4368284	2812301	4027600	3257851	6263856	6367416	5331758	2765439	6631486	2403419	3854410	3198348	3522061	4231374	6649270	3473377	8210624	3555888	11463270	5032502	3119382	2618071	3122531	1768368	4434348
Alanine	29947420	11149880	24085280	30446410	39307390	16969560	12186830	14698330	34422170	31810500	25346790	21002880	25302650	19555230	22793350	17570520	17548580	18635470	11895230	20175830	18226410	31313290	23376200	15487940	40324920	17169780	33074230	19402470	21619140	12596130	16804500	13888950	19837490	19744130	16714920	22190580	14219250	36739150	34452520	15731500	23370210	30265620	35999150	27286360	17393520	19424130	41056380	46093410	39570520	33419630	22954890	30164460	16372320	18216430	29106920	15027830	27344130	14343070	54646820	33559660	63778400	28613830	23899100	20238710	19570590	19839020	25781550	12203860	25976040	25012700	22272090	10839540	17189940	7562780	15465540	42294750	29312440	31748860	39449730	29352800	19186250	44024900	21509300	35680610	12189280	34719340	19842480	10109320	19082250	32188390	41995800	16827690	17948180	28300230	41554650	13755430	31181870	14440030	17848640	23960970	32320680	37503750
Allantoate	1560858	907549	1391430	750908	1244437	977022	479619	726701	1276490	1541505	1184438	1016808	937544	1015064	819510	674823	377249	891748	270277	1296259	976991	1893574	675368	621047	1727285	987835	1097542	790411	2245974	424043	879006	823243	486566	961223	510045	1401383	527894	914863	1272898	663525	1449731	1157598	770443	1510399	463077	1884256	1239712	1516162	956957	580370	610787	619990	840587	997534	943499	444637	1746141	546766	1322022	1481944	1631473	499739	718844	867180	1080248	695026	816942	509413	1085227	624464	1430309	919680	588483	395771	1905326	1568033	826414	1223451	1501616	1091834	731538	1427416	942315	1477784	497370	746205	819213	751797	412794	1033870	1430389	700301	823060	1235132	1582948	903266	1161949	622908	473182	980089	1240475	2059769
Anthranilate	3514790	1960411	1953576	2023163	2401870	1652176	1276468	984312	1129113	3516885	4231136	1334479	1606264	1509576	1706857	642824	95677	1809974	46266820	2050969	3481811	0	1457813	2130444	2098643	3389127	9861839	738891	6640390	980456	1306996	1188140	846340	1553458	2025769	1234388	1189452	2799078	1213559	1148851	1408566	3176275	3485760	3549647	922536	5012726	1866708	3766366	1175275	2717564	2151170	1544648	1467118	1826124	5667610	12084220	2924923	1820422	3210626	3155844	2920349	1637132	1549926	1500196	1703292	1479321	1502371	1233146	27913630	779002	3699973	2285956	1234802	346443	3326316	2351570	2062786	1379371	1134933	2220194	1663199	3119970	1408589	1606301	1372281	4060219	1391952	1009166	3975761	2042657	3642424	752862	99120	1526112	1845146	5137816	1399251	962158	1337476	1417886	3101142	2831594
Arginine	4509856	1704459	2436230	4560311	3314174	2382251	371629	685527	356587	1666818	3512491	1205063	1615260	1549135	2223933	694081	1203969	1442664	2442807	2626624	4900891	6125470	1814603	3951888	5988098	1612914	822458	638536	5126698	2035402	1241456	584333	1643161	3098826	3024316	1715216	822783	1129761	1619527	2942758	391723	3718491	1782416	1629027	746972	982311	3494391	2357332	847580	4162052	4323662	1573682	2233143	3722774	3180313	1996699	1890379	382044	5542968	2574688	6228966	574587	788061	1325427	2340871	2221871	3480625	2647820	1864763	888442	2009833	2147136	744336	702573	1362472	1866716	1724064	2501384	1137837	1100602	584613	973493	971607	3330569	1141689	856390	1153088	1899304	2690878	5476640	2396239	966910	988434	3147735	2746747	1099116	1484736	523396	628042	665943	1011938	530601
Asparagine	976246	441690	1196246	674496	7558	503477	345254	416337	736478	947311	1081256	482030	815691	274372	617776	289544	586099	416548	364327	442429	1037242	426487	1079512	472663	21021	519928	760545	417339	1343699	528075	484672	398759	471593	636159	537615	1524960	380716	653902	632223	541368	549030	724125	544030	504828	304544	629115	874965	1002343	623920	831984	758577	664095	641993	605763	635904	849329	639603	389513	1421482	777208	2166708	491506	459136	527582	473703	509650	1376772	516456	702266	546455	967398	610300	384757	247408	447468	1165232	655387	726836	1281117	661691	423534	895991	450576	1144102	364365	547463	461982	385816	485609	822962	983830	723287	636349	621280	1076552	394360	854215	366257	362462	616615	650466	795476
Aspartate	1226733	1331513	3667513	3608308	3171634	1405184	1620424	2129471	4592406	1163192	750770	2579872	936338	874015	1600958	1188165	1564638	1001542	968422	795050	813114	878108	1941040	924935	2204550	1183068	2206320	875554	1472386	804174	1046250	1017680	2713360	887455	818446	1915060	2617847	2209606	2361350	721444	786574	2193213	1321419	946565	1366546	1239277	1277049	1330460	816775	1722890	1096433	1507776	914041	1196750	1509568	2084968	908653	960433	2129845	1492669	2201483	867265	1233734	1250656	574133	876599	2023721	755763	780138	1314890	1637850	898066	1222518	955693	1317759	1935490	1663081	1784229	2637654	2552221	1134104	1416396	1416828	1702741	620950	765288	979265	1192286	728762	933582	1412749	1253941	1319230	1145678	2222947	812513	1591138	786337	1425207	1072418	1532621	1136548
Choline	76691770	61919230	80519820	36753240	21606470	33755830	41033160	46207020	43360970	81324440	53974190	20962080	40222650	55889960	77901240	46424960	31477370	43819270	54147250	25291030	36590140	80280650	44991690	32474890	83953060	49252720	42030460	36031560	42657260	32687650	31433160	35733010	64192220	66088370	50706220	40776070	26699500	53700210	71032970	26850860	52241440	71409270	56444110	67146620	39739520	70835310	66242800	89347980	72377280	50233240	49808220	55147950	60182960	94368020	85867420	70160140	60421590	46802260	70402030	48966340	46955440	29093370	55580360	69661010	72186230	120370800	42527090	44755370	53820200	45381820	89020220	48552800	48091200	40316320	29291450	79807180	37635870	73904860	42723550	66346400	70836460	62637120	39259120	52346480	24198010	91872190	61668980	47034180	76461260	74747950	57212350	50214620	32534590	64355020	75418500	154189200	49241730	65912770	47865870	53333730	56990100	65033520
Creatine	110078400	47422280	94181590	37279710	39465750	36178160	44476330	72180140	45743620	74245110	104875000	71585540	17825420	90104410	69789210	114185900	186164200	87950400	41708880	52384820	202146300	11179640	37494250	27972990	49891630	27073680	60771650	66561960	45200560	178512100	48382750	27978430	94381930	153052400	39751760	144017500	71267750	52964800	185515200	137770500	113831900	69396290	31788730	41188190	85721630	100206600	102123600	160839500	54294110	168761600	62757640	45257810	78217220	122078100	78483910	74492410	23621970	17567140	177274900	102423600	96326020	24082520	76411090	90980250	182589300	122761600	66926730	72670790	45680180	66208630	125578900	165409900	44994740	103376900	9012900	241209600	17601410	71869540	71639170	89547270	24840390	153641600	62220050	37280340	47842540	64092990	40594870	116681400	35036690	62280600	66956080	31880070	91310100	147114700	264997200	26336690	94699720	16224150	76681510	51244830	72739140	92431260
Creatinine	43058140	116306300	50717510	70562390	58166580	88613910	49325740	86760370	111071600	97516170	71492060	71426070	83465960	177206800	101755900	72604510	134089400	60205510	55724240	32887940	96589110	135599400	56480690	98559100	91689860	105784000	118851700	72614980	84216920	76103680	87356680	51274160	91306340	67912560	400356700	90666690	46728730	70270220	79757350	61328840	104948500	63007360	111157700	89753460	59047410	82212510	83576260	105407200	77774460	110953400	76959420	104434000	52327480	927164900	81214390	499595400	99593240	95291550	101581800	81409870	111948200	44351040	90533020	117075200	167572100	259666500	178792900	65566880	86295010	97146420	273076100	44328320	64281050	21711240	42401630	88784870	86714500	149359300	76705220	125876000	76913560	170522600	77566870	91600100	60274640	117845300	56451480	84474500	151077500	76833700	89112450	215457900	51356780	76132660	62223820	587411000	82452390	95704810	68369540	58926720	80814700	75572070
Cysteine	357371	304689	145210	294436	136103	13880	60681	109454	55926	111797	372966	421487	165426	182015	219168	71599	189573	431791	76391	264631	161199	246723	358094	405951	55432	563060	181221	72473	247552	210632	319014	262648	115858	50008	39017	493539	282224	292632	369615	19725	246284	267246	317606	323861	226440	278176	357256	427047	16725	104915	240661	201441	233859	145621	308299	346800	36288	186272	456928	562797	584137	140655	109082	316652	374009	251381	178228	625353	245544	176894	564695	148114	119506	149521	280803	336405	113322	82035	118364	20379	251742	341979	376489	250107	132084	18413	63282	439081	59480	92456	20767	159363	207295	161894	318784	290100	381241	77131	300516	258157	322820	90634
Cystine	502020	778168	849492	1003427	680303	526832	439788	443542	396642	1005898	720818	968561	532606	869369	961579	916930	618980	629881	293308	329645	1661123	11874230	728034	1101902	1447690	830608	785609	703890	967362	575196	682019	779335	994573	954943	835903	1344038	616637	699454	878236	470126	805608	1574140	1187284	629202	700437	829310	1145093	916548	363184	929514	828455	915533	1461818	847512	1017267	1363295	580978	434461	1198366	1594005	2019504	242138	834411	1049988	762677	450263	2038372	600480	527022	1058946	1837708	816734	531138	188814	899247	767697	821274	1901517	1074494	1059629	737589	1343568	618366	1573175	388865	537859	545593	1045076	1684153	967815	646644	1064084	474068	450527	1922144	1548951	915808	794394	444526	363936	678274	504342
Dimethylglycine	8403379	5352004	12641830	8472706	6904630	8769283	7041742	6100840	8665540	10213280	6731246	7638172	10293980	8157866	9708489	5575868	2542484	7790694	3450149	4988546	17897700	6618198	4800468	5393600	13180980	7597376	6681246	10912710	13876960	7457838	7003258	8170584	12814390	9027941	6192474	13868020	6438410	4844782	11389880	10593150	10185840	8247254	6316514	6954720	6877214	15173600	8560601	9813192	5872156	8508089	12490610	6955544	7082786	8848479	5638150	19548450	9102039	3058767	12056470	11412400	7995978	4288360	6278460	5704336	10606170	8139992	4927500	8944025	5378094	5038751	8340664	11841730	6554940	4209770	3482020	16264490	8649901	8832556	13674030	15558450	5250064	15239370	7739854	19627580	4382292	7022610	6887838	10639810	11655360	14154750	9778323	6882624	10420850	10449760	12356680	11978380	12546120	5766250	2189548	6029504	3357469	10110960
Dopamine	50604	96361	32086	197354	7781	64986	80106	69971	20406	36138	131630	115850	93382	82634	64408	58985	17958	73044	58782	74681	157323	144585	32356	29379	102875	94327	21667	108396	136951	82265	52382	158224	58423	178704	115107	85522	600527	6183	8080	123072	162933	229357	74567	113602	43102	14860	204593	150708	315500	74822	204653	1241637	47927	167922	23628	57700	129914	89742	79099	103514	74629	31459	51939	209257	143051	135283	43877	269662	60441	55380	253388	108729	80990	62379	54121	120451	108483	766165	88819	108978	59408	228703	105306	211697	187649	129520	29881	91255	31416	21122	91545	64321	87396	139397	98263	93532	0	62310	53630	68738	84576	496824
gamma-Glutamyl-gamma-aminobutyrate	78073	60579	74342	77443	103365	44733	55127	44340	83901	134660	72584	93002	123453	133741	78292	130233	89211	59027	47534	47318	157251	102637	52885	34698	67516	84979	73561	106136	104009	59914	78825	84615	116511	47357	79081	163326	36001	48774	62386	71363	81265	46045	61491	55771	79023	113649	86450	65409	51595	155942	88764	57518	81877	194855	24921	1738589	40703	43228	143057	91508	142081	56777	77228	32374	95866	177353	73429	74928	25535	54878	112278	188169	81157	161035	79638	93021	100844	46555	150089	123922	38804	126962	63030	179893	97253	60401	62043	103983	138815	105097	68621	66965	55648	177971	92866	465944	88878	43788	41210	70510	48041	39456
gamma-Glutamyl-Se-methylselenocysteine	550765	314843	507667	271214	449450	354101	104465	279700	426319	515612	398821	357694	411799	388257	278023	210753	165979	329623	88068	497322	327103	738824	230378	261605	638788	352305	413290	316921	659021	173453	308576	267727	90567	396026	222159	440614	199942	320226	465560	303077	570817	365368	236940	648369	148847	644705	470462	524602	336881	170865	246984	245578	304816	394799	297277	149995	630281	206776	387295	481701	494381	188655	202310	291275	378116	310376	297960	194405	343810	209098	462431	310652	196996	109365	725452	613523	300523	412785	509240	322717	273674	472584	377580	534820	204548	302478	228562	319674	180711	369485	493611	262040	285870	340213	542754	319893	393883	208161	151746	349371	460369	661913
gamma-L-Glutamyl-D-alanine	353914	112207	123360	216166	500243	76166	104162	102824	480316	340913	275659	133356	332713	149405	184996	107382	138088	131550	111204	185633	122919	276359	193317	58533	136295	130746	283985	176068	130772	73274	121640	84111	106124	110384	123925	163502	81773	203768	148087	128394	112177	242064	171191	261368	103775	276077	382132	433436	433499	580012	171725	292710	92764	193755	121382	188882	154964	106162	432951	171372	382232	215645	95250	154796	146460	272010	139377	60763	215152	122770	147314	52645	130805	21918	113034	255420	241388	250326	361094	251642	157379	266020	127385	277102	122390	318786	133837	56680	86111	231766	360975	72960	106095	468351	200651	143280	203364	89556	118418	210100	379493	119099
Glutamate	6380834	2883177	11649790	3589270	116350300	5384153	3042909	4144907	5241128	5347382	3073571	12042810	3494179	4910740	3587922	14183680	2566172	4257832	1412968	4058841	2006449	6157852	4121423	3316826	40602150	1879070	8889800	5700312	5052764	4417842	7624168	5283576	2905436	4467408	5291238	4699064	4793377	10555600	13285910	7434478	9534417	19203580	8064242	5844432	5714810	5709928	7915414	8285438	3239582	1205470	4640546	8406809	6765598	6585088	14277040	3297081	5019370	4893716	5716758	6131504	14742230	3173650	6872434	6534932	2667102	1102425	5676774	8027794	5608398	5766354	6831892	2314723	2350145	2150708	4182841	15382130	2590097	7235402	12310180	7680792	4374045	4152289	8011462	2944903	3726049	4715370	4794346	3919249	5517888	3087340	12248310	4828474	6617492	4243996	16559000	3292221	7211850	1951354	9130935	6879216	4399574	8016134
Glutamine	25057230	13625390	18983950	17878720	29533470	14406670	8051008	13853140	17918290	20722960	13973810	24411330	15001460	12821620	17450600	12926550	7559178	13745080	5872650	20099740	20773770	20437110	28634500	18516620	22691270	15352500	21331370	9613856	21347920	12108290	13993560	24549540	13334440	13482420	13311450	29874510	15553970	18463130	10179830	13795760	12240390	14426280	17389400	19332110	8818247	15094650	24068900	19275480	12172130	19381430	21642840	16611840	26383310	11266920	12968960	18849700	13201560	17026410	26608620	22940380	55794250	17155010	14106010	15700380	14255390	16345600	22598710	14781160	17641660	11029770	14615990	14497250	10620040	5254530	19519690	16926950	20101020	21783220	28351120	16090460	8156212	18643870	14356350	34099680	13481240	13812150	14299390	12928240	9055709	15708580	16482890	12425780	16705920	11526540	19127720	13505050	20938750	7960038	8961295	19871680	16087020	9495847
Glutathione disulfide	0	5032	0	0	0	0	14408	1843574	372353	102057	32463	46762	52876	2181	0	0	0	70334	1903	18060	1993	0	6260	0	0	39858	151239	97359	0	162343	14097	0	0	14009	10762	34114	49787	15793	0	21318	14506	0	7826	319559	0	10516	4646	178509	330322	83060	0	69738	32952	40130	0	32698	39336	8393	285771	28394	36770	93444	0	63526	7254	137795	17098	0	0	20618	105352	0	0	0	12678	0	27376	65951	226449	99325	138794	24191	0	8784	10513	68781	233154	0	0	61177	150270	5047	197428	31454	17966	0	243125	26012	28958	57849	4171	0
Guanine	301988	130386	226937	256158	1105770	231833	213117	181780	180917	482823	424691	146625	318900	221579	174886	101245	195618	188925	108056	208019	350225	3023906	175991	333437	263955	137814	109659	97269	681435	153018	163766	182149	369677	149807	168036	262168	137158	209339	235154	209430	178866	277635	230592	172004	220272	221407	194322	409819	209826	440522	240086	224545	92193	151310	214550	144141	388281	119370	724055	219765	424231	195202	174139	178516	180559	215863	167419	199069	188749	168879	169282	275601	468326	109562	1426743	594180	270083	179290	271241	317809	133286	480831	247415	342230	128000	311119	251259	189336	136881	486300	282265	89376	134065	724263	186027	194228	207032	87022	149676	251926	262909	654334
Histidine	3723769	3644005	3601499	3417280	10835790	1934300	1812974	3292598	3804639	4474996	3843820	2811173	3360042	3008425	2199146	2360158	3216698	2618720	1680674	3202389	3115181	7374260	5452388	1754758	5373488	3455331	3894325	2429618	4457004	1262277	2416639	2339499	2849909	1410204	1850228	4259824	2040136	4169319	3687721	2352837	2756058	2823437	2838392	3958692	1719383	2050186	4685838	5927630	3271597	3523386	3831950	3275896	1577054	2640107	3204971	4177100	3539563	2097842	3948267	2748585	6361360	3031778	3474914	3122238	2655854	5379712	2568487	2668970	3261943	3606163	3670407	2930302	2562740	1892722	2045372	4071195	3019183	4185315	4642259	3529188	2403922	4336497	2393563	4561368	2440638	2406472	2801319	2055522	1626554	2445571	3909010	3089269	2753897	3075653	3769616	3226717	4057321	1868689	2114272	2779580	3564438	3195810
Hypoxanthine	11619620	4436980	11551960	6075584	208041	8509821	318380	6823474	229427	159633	4678704	3779481	479223	2328284	7654498	7883844	7327728	5054142	4691879	146056	2543826	4288102	5197569	3149234	22429150	3615547	165334	527535	5846074	12180330	6105944	2688518	9462336	4478466	5055738	7547136	6758806	275364	981684	1767440	198746	304794	19505690	215163	5641466	14960560	4503468	347935	231917	23468880	4475148	5842206	7566434	20244430	300906	11832470	436758	164731	11608700	2217982	241538	180949	192325	7297124	379756	9409115	7730404	1521025	570613	3580494	152664	4164189	4444554	158734	208443	873719	281014	228293	513936	713938	569712	260532	567968	2379904	3558485	299852	381543	3844785	7638578	7391910	1105226	2344919	281427	469446	563797	499296	541654	4039394	295102	201943	12075840	291172
Indole	5071008	5047328	2696232	4215554	1167654	3854825	1548267	3017068	2545895	5358142	3931801	3493299	5314290	4236324	3306280	1735671	1198318	4351462	2001726	2263233	1441851	6568374	5114979	3435355	5133215	4008325	3610127	3581255	4543524	2619064	3426297	2183911	2998052	2292888	1348102	3122328	2330444	3492386	2968701	1959735	3692505	4098595	3563150	3199708	2486240	5167032	7078284	3673282	4194358	3832384	4038567	3309358	3208854	1521883	3975930	2210843	2848370	3628421	7601194	4257800	5075582	1978022	4063307	2385292	2701845	5317108	5054992	2266332	3630788	4414886	3856905	1330698	3057506	674742	2495067	6043554	3050686	4761478	3563392	2434630	3209049	5186850	3172701	5523488	1965393	4545016	1657066	1644640	6151498	4763608	2331830	1474790	1956793	4524800	3575965	1929790	3114209	1326328	1582248	2417733	6186258	6410632
Indole-3-acetaldehyde	33981	107582	16006	48899	11089	26058	0	52270	26960	45109	26723	35847	35131	61485	32490	39499	50925	45867	31231	14499	52351	83515	56633	19881	76940	36511	49756	22178	32543	23889	37916	27729	0	8422	71831	36217	29211	58579	79520	12008	47296	34044	10035	67386	9566	63472	41724	77568	55943	15631	52811	56746	24482	203025	34949	105858	51919	46768	53435	49259	63953	37020	54112	36305	63488	435176	99296	25539	36636	44381	179795	40953	35184	243943	21312	63373	31809	44413	45394	42191	27508	87708	33204	47481	20689	88057	15075	16351	69953	56929	20216	55141	26225	29173	49364	73243	36604	35315	51482	29609	157572	44933
Indole-3-acetate	461453	376061	208346	285995	63483	207199	206400	622521	261846	483502	563494	304770	411046	832664	308858	258853	921056	922719	163523	135177	116912	451200	808266	122341	324697	774775	419617	445194	281111	125688	357704	509036	886881	306761	235926	837257	523763	399665	744471	77186	555000	1179147	585260	1167449	577338	567286	617756	490069	130594	919584	384578	289869	436631	347005	360574	625290	501143	212569	312727	429254	1359227	532093	302546	217051	535177	711701	453964	103473	371834	397702	369706	286508	259450	144727	158164	247147	168816	929957	340367	551413	833556	392603	263559	540589	261697	906814	429345	70556	420953	497717	265127	363551	195488	156081	442013	1196910	300925	431126	309677	123061	691036	561096
Indolepyruvate	557851	487888	592929	799986	476069	596224	472848	531320	447454	655118	1510660	380772	786602	464602	492418	240625	242711	447640	252201	449294	558976	311569	1116095	343386	614031	526390	305765	331172	1201804	320580	343012	276959	700404	761794	362536	455276	399558	356948	203954	458591	439950	524774	272321	304433	612087	535408	1174266	536308	244651	679864	572695	321983	360263	151326	513286	111737	445909	313356	855554	641582	430086	115407	507400	563842	379899	495098	362842	405741	371903	257689	307235	556584	634849	284014	917919	467968	588489	446343	446044	343008	487747	558516	563567	528158	393356	364937	572373	504606	474843	897334	438107	295866	442671	721908	507343	341225	425190	405944	213860	344606	679446	566824
Indoxyl	56564	131055	151429	30782	89274	56341	19020	13725	33456	20152	45441	42301	82350	189114	34426	147662	588590	19840	45463	54921	149390	241468	10315	20956	37385	27342	87891	715736	143076	104458	157279	34415	20245	111012	164635	110945	166415	552009	82568	33100	200926	61334	144263	70940	10055	257810	128335	95218	37664	34503	36781	53452	41490	513873	160688	362260	23137	27520	46743	81150	103218	45920	13273	98465	120131	340066	47148	31805	369926	46737	179728	82793	11249	111084	34020	47677	46164	87843	129828	35759	114852	66732	163851	27213	337620	174249	35190	165176	13522	15128	10251	26174	31753	12346	243991	570188	18188	34221	274129	291807	60480	70048
Isoleucine	33438650	51719270	65103870	46902350	26195740	52853660	40312540	44119740	28036720	77195220	68367420	43032200	47423760	86165020	39735120	36190920	26752730	49812750	21907200	34587590	70436100	54922240	27752360	23887320	78973240	70698480	28450960	57811500	32629850	49614100	44429520	30994210	42874360	53578640	32796670	79159650	33240430	40708000	62610710	59176220	56049340	52611160	38913820	52488580	28654110	34063950	50398930	82134440	35703460	36437230	50171710	55918620	34360190	45852080	67377220	19023530	97921500	29374520	74355860	79642030	87067900	23312570	32602770	34685350	52927520	39896390	29192630	49266980	39232120	40019480	43120560	47403960	46559720	22367440	35483790	69991040	48198970	26146630	75936730	96750630	40750260	43314460	56593840	77688400	38942950	44421390	44907720	67565880	28097920	53977900	53605730	42189740	49116740	72779560	80454470	43393320	66479120	24643470	36530780	38688870	45954060	66165000
kynurenine	1001169	2043652	526411	2024081	335059	443223	731350	340952	843433	813996	403749	1367498	957725	2912268	663686	1949392	531617	852235	446006	874946	2628900	1333931	527288	429945	590404	550691	1730134	814153	912647	532067	1257602	740069	975010	667605	1152467	1066720	500036	1558233	1417455	825951	1553773	1220097	1112668	1211265	906581	4049311	882979	849165	484734	500573	653483	755954	572065	1206523	554833	806471	848565	823931	505793	1033226	1381752	311816	1222257	387508	717518	2601664	863210	259030	645389	590198	1725449	3243393	1574535	2439847	839759	1404306	783430	1328351	1286916	1283239	1105417	1455305	1053584	859507	581678	818003	731261	621939	1257203	699348	628923	1066859	664116	813684	640636	1547372	1145547	848894	305627	1483234	1164554	515928
L-Adrenaline	6649000	9181249	6638516	9424459	4425992	11546190	6809470	7962356	7661238	10034930	11619490	8772789	13957110	10113440	6428818	8151678	11706370	9990619	875799	10365380	13154610	3627305	7648314	11340570	7866132	7267602	5987366	8481395	10518920	6081416	7505026	6393464	6140574	13570850	13982910	7706558	3999797	9058931	11367610	13845320	13360630	5584393	9597560	8313708	7663024	13426320	6569226	7140626	7840514	12776710	8250944	12764760	9655980	4965722	5448664	4289908	10189160	5147316	8243990	9136989	8454355	4453932	8369762	12383570	10159030	5349136	10664760	8243016	8255302	6448638	8186158	10044500	7557808	2471537	6215918	11517300	8553359	7234672	11385200	9362953	8378968	17706840	11686580	11887090	8258050	10441320	6943024	9334879	20647730	10475610	11876640	14270900	10355140	12348520	10827360	3423670	10779870	11628890	6439778	13588720	8029074	14249690
L-Carnitine	114447000	97921240	72161570	138482900	57645000	125512300	83219060	101802500	140985800	135307800	144512000	113648500	170871600	141682300	98062660	95005860	126687200	120809200	45287740	97631530	165634700	48657040	145693400	119021500	187489500	101735500	89218840	99009700	174424700	62738960	74616010	47327930	150040900	164813100	189678900	127166200	58791400	155380400	154920400	154812300	164746100	104936000	181337500	126666600	114591500	234929100	120508400	128574500	78828360	194089600	118686700	120942700	122767000	131105300	96678460	77153500	121554200	76286220	163228700	150170700	108902800	51249070	141293300	164360800	114718200	81858020	152242400	89116510	97317120	78983610	128040900	110768600	110157500	29162380	68046490	202386100	104167500	132317800	184045500	105802800	131524900	213394200	184519300	224232000	75696300	174679800	83637780	138978200	221048800	140693700	141069800	212590900	130125200	182487900	219679500	59363680	154795100	129707800	93713780	140713700	110683500	207474500
L-Citrulline	1063247	1384894	826513	897096	1275246	365680	438350	1007426	1045177	1011459	720706	1134477	774207	1020995	1548076	360562	452378	985938	594914	665244	662075	1390240	1507582	1153915	2420583	1559490	2680578	393836	4226360	583073	568960	623381	813175	968534	1758742	1433486	828609	904820	607425	611621	823046	1553596	1123876	1299567	577709	1592107	1905690	1675450	775443	1051021	1074603	1460478	1159528	2447838	1832518	2891703	700526	1000941	1206218	1690755	4107386	533015	1230202	2044588	724417	2397114	973746	758079	1408440	665942	4002970	699221	461517	153167	646943	551284	661250	2490147	1580774	1710593	623263	1710844	532505	1788948	691846	1085867	372130	807472	947729	1136318	885264	596085	604568	627881	1747464	2229545	665045	507537	807506	721041	1453366	1024174
Leucine	90536170	131829200	89478500	73112050	87037470	138998000	78562360	109455000	57687960	137978000	116770200	59546320	133157500	203924600	75045100	104714900	53653360	99838740	55227470	71505060	100389100	88045310	62919730	66499250	135461100	118923200	59054570	127365000	58729150	110720800	115298700	79273290	86115770	88516390	80071530	127620500	44757810	82929180	151580300	102440900	144144200	74128990	82786210	129903200	103825800	73111880	97654700	142303900	117717200	89365180	103364400	94312960	40441180	84405570	96920800	38880930	170420700	68031740	106454500	126389000	111840800	66818330	90103830	60337840	150389400	104006500	53613640	95322550	82775940	88256320	65996820	109527100	215964000	61054830	78093640	141351900	79841500	69856460	133792600	168354900	73600630	132510100	116082500	136549300	85143850	106046200	91830230	142110300	79003660	118211600	90070530	75751300	70909400	230559800	101717300	81321960	123439100	41024960	83492380	105750000	106773300	172390200
Lysine	17144070	8034974	16532120	15296100	8945985	11717920	9123231	8260312	9972500	17531440	15284560	9333707	11933550	9908437	13341110	4796198	6740838	10688250	6166922	13174540	12991680	14842350	13190010	7080978	16820000	10551710	7773870	7850722	15908280	6640526	7234588	3622029	14467900	13064040	7889194	15863860	6120550	11672350	12929900	10624780	10505470	18103430	11965200	8800485	8209568	10509370	17172380	22573150	8787419	18181610	14431540	8469756	9121713	13333650	11543890	10936020	15739140	4756944	29708690	17465580	26476450	8043324	10432430	8904195	13902660	11343240	12073960	6932004	10967080	6683034	10814960	9774769	11725740	4425128	4636034	22654550	11069450	11205200	14421490	14172430	6404526	17367400	8764441	16941800	6124510	7407472	11614300	7527886	9839812	18410520	19477150	6493590	7741022	23776690	18436540	10305240	13519320	4074130	5958764	12640740	15111800	20238490
Methionine	8404728	5029590	11818640	12077100	40222690	6845286	6041772	7272270	4891878	16999750	15539900	6688758	12288310	5562794	7061384	4038528	6349756	7031814	3695251	8773917	13553940	33399290	5882804	5726942	13599980	7515084	4772675	3323696	32215320	7512370	6182572	7398330	8876834	8053274	4485628	11001590	5981224	6546806	6530286	9313509	4829944	7610324	6556306	5128520	5499038	6488768	11701870	12773770	8289392	14238780	10118580	5916232	3801552	6575830	6683906	4025387	16071120	3435956	18987510	9030961	18410150	5856854	5815444	5925260	7503866	6256552	7076294	8533020	5826164	4485260	7281928	10843710	11611920	2881085	4012428	22734350	12858020	5778762	10353340	9071464	5531052	13044730	6311360	15379690	3559818	7515566	8933240	7944756	4668992	18177420	7906236	3747695	5274688	18292050	10478440	5058257	9618339	4326678	4896068	7114240	9099859	14673770
N-Acetylornithine	481181	552400	481279	1086931	243648	267597	510491	351449	842237	392255	513431	475197	926141	461978	744500	432962	145689	654362	340367	272777	289812	439728	372484	377810	244888	582871	960090	164989	1150667	63680	153963	98916	659698	338764	251975	90349	251953	233946	230853	270213	304824	648574	657418	527093	302565	688849	463634	491988	483190	349932	224216	596820	584651	737843	652485	1525365	205714	589642	393984	506430	1602074	211228	904199	243563	487966	951181	530225	188776	354265	1507049	1482142	178888	664862	342666	597884	872150	521843	1425787	766874	1269752	229747	797049	235098	346753	293714	445537	461852	206583	275186	403638	281814	244875	668715	440237	497523	659119	463207	322903	471704	340363	830817	635306
N-formyl kynurenine	19536	24233	5283	37811	5906	17121	7105	3931	1777	7037	2942	23481	64803	68473	22816	24858	11475	24888	47405	14217	36171	33227	37169	16334	37040	18475	29175	14684	15961	11685	21901	17532	12152	7148	13541	22354	4629	9827	24230	9556	6815	8584	16232	16426	18445	42127	7378	11897	18929	13040	15836	28856	18756	8364	6164	17574	11175	7687	15595	23589	23259	14244	8105	4362	14722	5254	29619	2961	23682	24050	14248	38469	20321	12998	14958	27933	14990	26655	15402	16103	14246	24475	8322	36704	4360	18193	6540	6676	21522	18593	2828	9821	6690	41048	10835	5031	5820	6339	18573	4669	37533	25936
Nicotinamide	1756237	793811	931291	791138	609401	576261	1801007	3274500	2043592	528351	565760	1347929	1470064	1476190	755593	1316482	437024	2023684	1162272	1039902	1218203	517459	722622	497627	597317	530967	1216695	602044	876103	844974	867512	760412	1348728	745291	780959	1457297	920638	1136156	1538869	1242691	944763	1811695	2198274	757767	1113620	945441	1202558	2100062	553627	409710	496266	1497618	618142	2180028	1247964	1031328	1567847	554438	2868956	687565	1834263	965515	1042973	851421	485366	778740	582807	969250	1313093	559996	913701	604095	6002712	1374617	776738	1525174	1102315	824716	880714	2134317	1002031	654360	846001	1444070	921906	788665	1814977	1023090	768918	923216	1399082	778911	1788223	1281531	806613	936866	1587092	717973	1241161	662227	933252	620225
Ornithine	5597250	2951469	4031037	4134800	4776474	3192839	4113268	4183359	4842522	6441772	4878758	4368128	4180617	4483868	4266623	2166399	1342964	4048352	1327442	5719968	3784821	6794630	5215814	2616554	6332728	4111282	5034840	3238472	7470914	1461150	3140267	2708152	5469932	4044937	2017643	5947142	2728994	4085458	3979214	2816286	5923950	7209220	4381364	5301908	2928563	8767941	6242718	7397638	3439892	5225428	3014864	2490213	2623936	3772212	4863592	2109227	6472346	2692147	8387128	6087280	7134054	1882868	5599082	3739867	3766039	3978399	2674758	1741076	4921233	2551915	5686632	3218486	5140480	1789276	7235854	8024888	3175615	4327900	6480870	6525544	3058754	8291480	3606582	4909940	1623274	3013866	5219124	2829329	1837210	4367626	6673426	2265600	3332062	9489063	6366698	4193663	5434454	2265368	2067144	5237643	6304056	10617430
Phenylalanine	36735600	59165950	45175080	52632830	56868740	45725960	23241100	33693480	40595050	60197910	39317460	59008420	74027070	135607400	31523170	75507200	45969860	36349330	28771520	48108210	40613360	93622100	35783700	37270510	72577060	44130660	113364700	48832400	72844940	35888740	60870480	43832830	52253820	29181830	36150480	56830440	29445850	50871010	68055370	37140820	92618090	50338320	52161990	87332920	40744440	52793810	43093820	58677870	49838080	52503390	43564350	47492430	24842880	30198200	50967360	23387190	62382290	32321580	60829220	52276320	61831260	32350120	51632700	31652880	42953900	47783270	46245120	27275090	36810570	48587200	43542200	61158260	85891880	66698700	35254440	76910900	61015310	61388440	64231830	53817930	60726930	71216950	62336720	59029480	37672350	54898740	39805540	35527760	42656580	61511970	35665020	43835560	34668900	89432170	57352080	49233660	65066400	36220960	46234980	52682860	51686930	54031360
Proline	162733300	149686900	144601600	149285500	148870600	120668100	118547500	71966710	81652950	223691200	247206800	93678500	102782700	80221760	131250000	59810280	49598770	143825600	68888380	130719200	184068400	250292900	122845400	140344900	157714400	219187800	131097000	49753940	317157200	69452000	86529540	94139350	91866090	115084800	104743900	101281800	93217410	196277800	87248010	83201690	96446580	230375000	234291800	222175100	81400290	171506200	168204200	254839000	106601300	204801700	124489600	158736000	99974730	130279100	186827200	101759600	182377000	74131680	215456600	200097200	240663300	121297100	182241000	96450970	133425800	119100300	134804200	86741820	125041200	69234370	164614500	159750700	163938700	33179950	187282600	170761900	143939000	114621900	113547400	172960300	112830200	231840100	97996900	153712800	77660410	136486000	148179500	67814590	84468920	168826800	227505500	64790300	69841290	160878200	140223200	156637900	104125400	76771490	114541300	113772700	256779600	191331300
S-Adenosyl-L-homocysteine	0	0	15665	4357	0	0	0	0	9581	0	0	0	0	0	0	26853	2138737	0	0	0	0	0	19533	0	0	0	9352	0	0	0	0	0	0	22874	140828	0	0	0	0	0	0	0	0	0	0	55608	0	28213	2724	0	0	0	0	21319	20465	320428	0	49903	0	22462	23532	9313	0	0	0	427079	17335	0	0	15191	29480	12703	0	85921	0	0	0	49486	0	13788	0	0	16940	0	0	0	0	0	221978	0	0	0	0	0	14776	127093	0	0	13547	18718	292137	0
Serine	2526248	795359	1936521	1656907	6081728	1642999	832384	1604186	1709327	1742487	2288581	1945509	1563570	869230	1775641	670982	689387	1248600	708324	1348840	1859710	2669642	1780634	1289994	2596406	1172734	2013108	941392	3368479	1026593	1271653	1704413	1222804	1161273	697723	2526880	1488045	1695966	1661287	1833131	1165146	1553376	1384448	997997	1052493	923267	1724216	2132640	1174790	1487469	1393157	1246237	1307866	1277974	1426181	1163134	1209486	1196807	2249376	1852196	4406348	2511248	1020414	1234638	1075318	597422	1133612	1306436	1726654	1277832	1601283	1234192	1348222	416846	1801487	2064902	1171607	1767814	2395975	1132500	936977	1909291	1079919	2553279	777573	1121880	1189380	1289572	942606	1459120	1370179	1019381	1780901	1304129	2984975	902095	1649003	628103	782485	964263	1791900	1836789
S-Glutathionyl-L-cysteine	23640	30389	22684	12090	79355	964	6329	787290	225295	235087	92815	123898	94770	18502	29750	15914	68319	165339	31287	18707	19059	14072	36476	0	17156	221336	302909	196090	16822	160246	44554	6662	708	41175	51183	176973	77522	28422	55728	18050	48958	46113	97833	372028	15578	35230	74821	310645	282123	167153	5285	172226	117705	40764	21146	172623	86489	51068	391091	213196	258759	57341	5556	173209	75214	207127	55772	13522	15761	167835	366275	14442	5675	2240	40805	15556	104234	189652	357145	178521	115637	131453	10027	58963	1660	38689	199903	21796	10613	95305	79858	11871	187076	28269	41845	41757	263939	96896	49587	30731	38331	4703
Spermidine	1463850	82194	13497	116086	12227	112419	258210	1428998	169777	188907	156024	262924	87135	95003	235559	113220	56714	548442	36159	77886	149277	38900	47389	33312	34929	44662	143874	123450	65807	184375	103819	114249	309906	145278	56372	90092	150088	237649	390553	74626	145913	286588	235737	94067	93685	150693	47335	276621	198888	161047	133082	189883	140850	277716	287127	122962	275009	76800	1599582	213935	395870	81637	511876	133530	62445	267620	104456	114859	111494	300814	73095	59756	282844	198560	51451	617115	157409	117226	82860	403904	115896	209969	300972	91305	205013	189485	271994	158086	130084	61998	270799	100940	179782	265431	97899	255282	173942	124563	224502	98954	155170	130722
Spermine	130418	0	42799	7093	0	57443	173888	676236	198057	90093	72756	189101	0	0	39992	34956	0	268312	12607	0	55839	0	0	2388	0	24128	34184	33391	7023	23587	34118	8329	102517	56171	0	43802	21911	25702	129540	28796	105457	234710	68054	37331	27099	57225	8359	82498	263239	54457	34033	36694	12682	379876	118952	28357	352183	38782	1470882	7938	97000	32388	460785	35328	35986	156150	8973	26144	0	430721	15918	0	74190	111333	7923	423356	12385	65664	40252	523133	56926	270671	189816	0	112319	88054	87895	89290	3226	17952	90004	3937	38430	193557	0	215022	42381	110320	313400	12352	75376	38188
Sphinganine 1-phosphate	98897	175758	114709	228758	263621	182107	54686	134813	73986	156371	36499	137153	74994	177330	105714	73314	129974	188826	61476	248986	149103	101971	89802	73880	50403	85458	84101	107959	101441	106400	125103	147465	161842	81297	164815	95365	64474	57866	110017	99745	243377	81884	102462	74659	72691	66270	125760	110077	87071	195463	47530	192045	302666	47312	226974	104058	106471	107061	176556	86374	142384	48639	107580	107089	45488	181978	143540	86628	67560	92878	330672	58011	173912	144873	153248	123510	81379	66509	129653	92922	118391	545933	115849	123972	51420	144304	61794	97707	61123	75094	158329	39157	227779	185293	108180	84056	115764	139437	179829	76378	154473	89955
Sphingosine 1-phosphate	631692	346775	182572	290230	274484	263965	415550	379915	316020	380946	243523	597893	703017	451705	396967	696920	245356	453665	221596	423743	140516	354895	326163	241774	354964	350661	487244	492732	442134	412079	405042	228188	488505	439782	499441	403516	327280	284408	400981	846214	296645	667240	519220	785687	422920	524391	414750	609781	1034424	562858	414222	425448	487264	237851	265365	479148	667995	878885	412755	370570	865344	994883	696398	469793	343929	505807	613920	219748	1502298	510562	494169	361861	572470	169481	249329	380293	360531	964982	729410	621261	384201	529578	319126	387671	266035	765576	593187	230534	607700	452945	678965	236169	613229	455311	445161	304276	548307	305300	505150	339280	965202	554672
Threonine	21776110	4334331	20495290	8566653	40146300	6935234	3784885	4643590	5168780	10421020	9089648	5557568	6483846	3294912	8120320	2892374	4557472	6580656	5972330	5514264	12188460	16361280	14460450	9247213	12994720	6094406	6227030	3564873	23535320	5950286	4135753	3050223	4704274	9939070	5553506	11584010	4364905	7839700	6682552	7015102	4935152	9820316	4704388	5220148	3318644	7509914	15162800	12827680	8020954	11457990	10503830	4481829	7230792	9653881	9698669	7869502	6775444	3264666	17081410	7872884	14318930	7882750	7747248	5882182	4923498	4280696	10190720	7342370	5458470	4455210	10270920	6815002	4255864	2383522	4784905	11905260	7072526	6658622	9097997	6283574	3383367	12072000	4427806	12924640	4853336	4953874	6016502	4725416	5804310	9846805	11164280	3043673	4332630	7714394	7515400	6514022	6468076	1865466	3370724	7289114	10526410	10019750
Tryptophan	168767400	169953800	97450110	128972400	34452080	121985900	53971240	94178530	99189080	175072500	142363300	103628400	163596400	130012800	110073100	53490120	34811940	125139000	70258700	77400450	54255870	191485900	178759500	88745430	147418200	119793800	104594200	113343700	153869300	77154170	105354700	66218520	100750400	72266920	43492460	91713780	74874440	106581100	88383770	73573450	120211300	76092900	107997200	89866400	81702040	154941900	217271200	111795000	133837200	120011100	138130100	100904300	92622340	47576780	107540500	65017770	91293460	112893400	235682200	132145400	142030600	49349620	124333500	78547770	81659540	93789440	147952400	81487860	115348300	125872600	120153800	39810700	96386410	23750620	58873330	186949600	96121370	139547000	117518100	80390750	106688300	133249800	103950200	156533400	69000590	122985500	58629850	70053820	154959700	144528800	80064250	52884420	68834230	127313900	113893200	52363330	95996930	60503070	49909510	76215580	166988700	198700900
Tyrosine	24512020	16899520	22914260	32368290	20942430	17782740	20454510	19146020	18554920	40079780	43947690	18963450	30924710	20340830	21059260	12433840	15595240	15222840	10460430	17789530	19080560	14915820	54645030	12045840	33029160	23756420	24153140	21533780	65175330	15404580	19515620	11501750	41019300	25279130	16897990	26106620	15114150	32493220	24618310	16883690	27143440	38752090	25844660	17174810	21775490	43962090	47876350	37969120	16451160	37515800	20652370	25910540	13584160	9910931	20378520	7581502	25406920	12544410	51381200	34258380	44077530	8223064	37441880	17872070	14171610	16487610	24356930	12493280	21404450	15708790	14639470	21694330	34994020	10446050	28793480	39637840	28103770	37494880	43219270	28964660	17885110	35358200	22533800	33436890	10932570	27393510	18157350	13885940	18240220	33618610	20011270	13258440	14628300	51551600	36445250	17424080	24475920	12164650	13982080	22892620	36855070	41769900
Urate	80054500	66515840	13214770	60847260	16736420	50874680	29872830	66856400	31741810	67142230	30748580	72370100	33388330	107730800	57014110	51175220	63425160	74717630	42404080	49288070	65004610	92620610	31232510	47000880	50727440	64218680	50369940	52441260	46981500	29390140	53269200	18187220	40554580	33766920	79139740	24689500	37672680	72866550	47056060	26451970	48088170	32466700	112585400	88488520	41270370	111229800	55997020	75673780	44087370	69834630	43336500	66346690	80636990	80606490	45369290	75624420	30745730	53904620	59444160	68339490	164092400	57229500	72860260	71511500	72763050	85405160	92241270	57347280	72191780	51550660	93713890	42591460	88979640	38715320	25368030	55838360	51425920	101043700	39786400	69333410	42270910	91447100	31267900	97515100	36240470	80429220	39911030	41171340	90340660	36192920	43284400	79042170	41897050	60268940	56864420	40044800	39336060	46014220	53520080	50608210	85064060	65390260
Valine	177824700	184295200	176795500	160407900	243638800	175984000	142328800	160264500	134459300	263868000	194995000	188391600	187076000	228515100	177011200	175862400	98425020	179711900	88673110	140864500	219127800	202185300	153782500	130366700	337825800	175576900	141649300	146150200	163614600	150574300	165308100	130791500	223006400	145972000	101449100	198408400	123227000	151766700	192991400	167638400	180348000	171445000	174624800	210545700	122096500	175815600	256015400	274216500	114196100	157438900	182002300	169647600	103619700	103359300	212217000	67408780	277371200	81567530	183539900	274248800	215352700	118592300	151995700	128972500	185896800	149735300	137447800	182728100	122180900	151508000	148726700	191790200	168763400	88993430	150439100	224822300	162784900	162951100	239493100	317262200	124330400	161733400	189108200	254992100	103269500	144890800	174012400	291824400	111413000	223249300	172775900	133348000	156809900	239641300	194642400	183218300	151479300	103447300	153771800	140663500	177628300	207291000
Xanthine	1463466	823057	522582	1417027	185908	1031544	567504	439681	309104	265506	205171	853233	714098	831160	691246	892874	672172	738290	459287	163653	880214	234250	266017	251614	32104790	284900	532454	661626	333818	884486	1423799	650230	1597361	642896	706831	809880	432779	719529	794270	1809469	565651	684356	2004770	218686	1425070	1435530	531266	235321	352611	1087889	483473	762341	421065	1197840	243762	501583	331671	266190	900873	266727	768876	295922	377564	376490	5749488	593851	1428096	704296	386311	1155796	133437	644014	1599789	877505	161893	907442	500294	525209	364736	937402	643443	470825	786037	750750	561498	727220	338008	896517	479313	900081	515345	772470	453257	678113	5376096	399742	555266	348287	611301	143208	931354	154296
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	parent	medRt
(5-L-Glutamyl)-L-glutamine	C05283	276.1177	0.68
(S)(+)-Allantoin	C02350	159.0508	0.72
3-Methyleneoxindole	C02796	146.0598	1.71
4-Acetamidobutanoate	C02946	146.0808	0.67
5-Hydroxyindoleacetate	C05635	192.0647	1.40
5-Hydroxyisourate	C11821	185.0313	0.66
Acetylcholine	C01996	146.1172	0.66
Alanine	C00041	90.0547	0.66
Allantoate	C00499	177.0606	0.62
Anthranilate	C00108	138.0541	0.67
Arginine	C00062	175.1187	0.64
Asparagine	C00152	133.0605	0.66
Aspartate	C00049	134.0445	0.70
Choline	C00114	104.1066	0.65
Creatine	C00300	132.0764	0.66
Creatinine	C00791	114.0660	0.66
Cysteine	C00097	122.0266	0.66
Cystine	C00491	241.0300	0.67
Dimethylglycine	C01026	104.0703	0.66
Dopamine	C03758	154.0843	0.68
gamma-Glutamyl-gamma-aminobutyrate	C15767	233.1125	0.91
gamma-Glutamyl-Se-methylselenocysteine	C05695	313.0349	0.62
gamma-L-Glutamyl-D-alanine	C03738	219.0971	0.91
Glutamate	C00025	148.0604	0.66
Glutamine	C00064	147.0762	0.65
Glutathione disulfide	C00127	613.1566	0.91
Guanine	C00242	152.0545	0.91
Histidine	C00135	156.0763	0.60
Hypoxanthine	C00262	137.0456	0.91
Indole	C00463	118.0647	1.71
Indole-3-acetaldehyde	C00637	160.0756	1.83
Indole-3-acetate	C00954	176.0704	1.87
Indolepyruvate	C00331	204.0626	0.92
Indoxyl	C05658	134.0597	1.72
Isoleucine	C00407	132.1016	0.68
kynurenine	C00328	209.0916	1.39
L-Adrenaline	C00788	184.0939	0.65
L-Carnitine	C00318	162.1120	0.66
L-Citrulline	C00327	176.1027	0.66
Leucine	C00123	132.1016	1.01
Lysine	C00047	147.1125	0.59
Methionine	C00073	150.0580	0.77
N-Acetylornithine	C00437	175.1075	0.67
N-formyl kynurenine	C02700	237.0860	1.44
Nicotinamide	C00153	123.0548	0.91
Ornithine	C01602	133.0968	0.59
Phenylalanine	C00079	166.0859	1.40
Proline	C00148	116.0703	0.67
S-Adenosyl-L-homocysteine	C00021	385.1296	0.67
Serine	C00065	106.0498	0.66
S-Glutathionyl-L-cysteine	C05526	427.0936	0.68
Spermidine	C00315	146.1648	0.60
Spermine	C00750	203.2226	0.59
Sphinganine 1-phosphate	C01120	382.2699	1.91
Sphingosine 1-phosphate	C06124	380.2542	3.83
Threonine	C00188	120.0653	0.65
Tryptophan	C00078	205.0966	1.71
Tyrosine	C00082	182.0805	0.85
Urate	C00366	169.0352	0.91
Valine	C00183	118.0859	0.68
Xanthine	C00385	153.0404	0.91
METABOLITES_END
#END