#METABOLOMICS WORKBENCH juliehaines_20210330_071304_mwtab.txt DATATRACK_ID:2549 STUDY_ID:ST001736 ANALYSIS_ID:AN002827 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 0 to 100% phase B (phase A was 5% acetonitrile, 95% water, 1
CH:CHROMATOGRAPHY_SUMMARY        	mM ammonium acetate, phase B was 95% acetonitrile, 5% water, 0.5 mM ammonium
CH:CHROMATOGRAPHY_SUMMARY        	acetate). Solvent gradient: 0-0.5 min 0% B; 0.5-1.1 min 0-100% B, 1.1-2.75 min
CH:CHROMATOGRAPHY_SUMMARY        	hold at 100% B, 2.75-3 min 100-0% B, 3-5 min hold at 0% 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                      	NEGATIVE
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
1-3-Bisphosphoglycerate	1531994	25404	2861	40384	9830	138290	436336	28117020	465180	6723	25077	325803	220690	56101	215646	8696	3963	1758344	47470	28268	26180	1331	429517	42527	4970	9372	24540	74023	6473	166294	28687	22840	135632	61276	245619	3780	93179	4644	99991	250805	9046	5771	51900	5917	109877	310089	16787	11895	3961	237420	89971	46179	5307	82659	15744	102164	269391	5321	793468	163659	23118	34847	12481	23326	140219	959130	7806	14517	146552	124595	11405	81157	347472	13705	5084	76497	33713	839	12616	90959	4885	4864	28450	8728	12020	39883	6799	26051	75786	128209	156684	16707	9116	147454	11766	18271	4018	42390	81945	8521	2970	11571
2',3'-Cyclic CMP	21159	49402	19516	13826	14364	26436	39161	37662	19938	23529	97248	16727	34404	28548	13481	23233	8199	27750	24345	18639	43471	16512	9128	14880	13216	17491	6500	28879	13729	16683	13348	12479	31397	22908	18148	14974	10942	13345	0	31224	25040	18435	19627	19512	20515	20990	19439	28930	23477	22450	23762	10351	10390	19210	39367	6896	39889	20157	29989	20002	9236	21444	72598	17564	29881	28239	3972	34045	12860	5221	11802	19174	47267	48424	18350	21840	16665	11163	12745	28895	18503	23924	30641	21213	60070	18619	60028	30127	20406	31039	29878	9582	20749	67388	12847	44496	21402	32075	18892	41390	16318	55034
2/3-Phospho-D-glycerate	2170174	107618	232057	132919	8446	306556	1057694	5444612	314670	180244	78121	331782	1007720	234205	213928	460395	158939	2251612	12410	174250	161936	159805	309149	138145	63579	95742	152683	675639	83071	348543	207912	122254	141892	260766	522932	345651	102967	258415	555129	565298	356277	264286	541127	209265	238071	341027	209047	493375	189750	117295	155346	384826	104862	363572	382151	299106	1145520	252712	427600	596738	77957	176696	875097	199305	325003	376932	93093	309537	989155	1194236	179907	260084	519509	51976	61158	2427898	621189	78530	173721	468176	267592	209324	619112	206912	146224	329879	563588	90246	218878	283628	516927	61961	416686	469281	234189	201704	426517	154634	566670	90751	189268	996076
2-Hydroxyglutarate/Citramalate	504112	165386	188989	604179	285387	264472	376550	1060952	547890	341636	505226	358263	460225	413173	1028088	279705	255878	474141	514672	261519	300656	275553	1200595	138110	493587	263593	839035	377225	681058	391035	206599	251264	356416	231482	369283	408282	378300	409305	385315	246669	189264	322596	568359	433309	193443	751936	373910	400559	723799	253795	296749	552111	273839	584456	340347	859381	264073	644842	522612	222380	372237	434712	798292	267177	307553	461074	334432	367737	629035	616244	304643	240791	299146	235117	131695	691450	452048	466784	1097060	853047	306882	641587	303113	652822	467018	815472	760588	210575	324061	494150	319175	353539	213306	293788	304013	819642	430139	253926	262066	340778	444940	223581
2-Oxoglutaramate	183628	194755	122742	121930	186758	125728	151818	122565	156940	179547	185625	127381	177311	217562	145467	197658	242689	151159	266322	110534	137180	130869	115424	137990	152481	151049	175152	179275	195527	112502	137334	156863	164405	159045	574350	139519	102369	155251	215668	147121	269929	306645	226899	222371	126547	246631	155162	188708	295716	441565	169777	147199	130597	2701424	190000	1038040	195980	231516	172260	134199	136884	143077	224032	155668	159876	355675	207772	96096	181232	231673	212190	176159	173324	180697	146438	203836	152444	215303	137934	150914	203122	373133	209152	155909	137724	255681	172630	79783	228492	127726	211331	401554	132965	222011	127361	645213	165645	169363	134160	178444	197074	254941
2-Oxoglutarate	929483	1148803	1317291	556432	6550708	1100105	1476444	546932	792958	1541748	549539	1421277	1231596	627598	547199	1432620	398406	1251479	206269	1625763	552814	434525	496710	257783	3304575	492228	1140431	1348467	1327804	914141	1100048	609819	551374	1050698	532809	589570	389066	1930801	1923846	2011273	2038206	1201545	1114179	1200698	1289969	2303895	776613	966318	478426	696220	1496462	673010	1040675	508363	3257203	428292	2586859	993046	482189	548060	653334	808862	1555930	560692	578069	441215	445557	2422209	3543842	864382	282630	427831	1211622	694052	387050	2114108	568402	946811	860418	1317525	1019667	1078216	2267556	544677	840698	2583138	845741	468393	1043958	748948	2402847	1035841	1411052	1435723	3495440	826219	1188654	521801	812310	2352812	1224028	8735855
4-Pyridoxate	117988	76400	20117	18019	1101	17536	11904	8089	23441	14004	77932	5427	22294	47367	71906	8031	131920	12715	13323	14576	40746	50396	58743	11730	14891	56535	103047	24513	10560	7627	6039	27481	25426	16605	91209	9979	9647	9607	13473	7029	16580	39482	15407	18947	14603	14082	40870	11373	11130	14368	4763	73983	31491	676132	15222	1559312	12812	20215	9322	12264	23635	5921	12865	29071	23212	124090	116518	4844	8369	14921	39579	15610	6693	18726	19345	11877	13047	68705	11316	20717	49051	12166	15233	24289	26254	32526	6945	7014	67074	25409	30538	32200	9686	4629	18677	857974	18280	9615	12507	9948	36030	9561
5-6-Dihydrothymine	2894143	3161262	2155557	2479368	3463926	2359286	956048	2611534	2579363	2982699	2015355	2744153	2031229	2027892	2585424	1771295	2368641	2097366	1161392	2782770	2850982	3056330	3721111	3366951	2848744	2349898	2580207	1376123	2805763	1517883	1939491	3072619	2500940	2257139	2346359	3078374	2021641	2351282	1355369	1813685	1462551	2376014	2657721	2703069	1517005	2723006	2766941	2602062	2148030	3548620	2824625	2167533	3014366	2202755	1563175	2154581	2506143	2378389	3142673	2329753	4722792	2569788	2082230	2085385	2180507	2362878	3371557	1676176	2411055	1599781	2227444	1884619	1972270	609542	2181767	2129690	2982674	3674514	3212357	2171234	1147334	2913654	1954770	4426354	1763286	2339136	2206144	1675554	1198877	2443927	1869260	1924615	1994028	2336725	1873556	1590275	2770597	1143413	1774897	3164735	2262209	1688549
5-Oxoproline	7616220	4660750	10013680	4633830	15428200	6955112	8688439	8853217	12828930	15591940	4253346	6290306	12053960	9270929	4918112	11557650	5586908	6961602	6002316	5944666	4225326	3412391	5343354	2517226	6681270	4815588	9147005	13130760	7479500	4710596	7577736	13713000	7394728	7449938	4796286	10182880	5464942	10285560	18630560	13034130	12875010	10912940	7172598	11599120	6951952	8214846	7169720	11287630	12816930	5024346	4967742	6267360	4756102	8714774	10007560	4758282	11281820	11878810	5911132	5602390	8648605	9879919	17124330	6425774	6856840	4005877	3209321	5411078	10240580	8065468	6462970	10333820	6783464	8844117	9140063	11259400	6005166	7638076	9049365	9655978	8930647	11433140	11848400	6949458	7206562	11480320	9576539	3647275	4117737	5313226	10552770	6277410	10533090	10825140	11257110	11066080	10787360	4546316	7707600	10896460	8659161	14445110
ADP	236243	25863	99684	64110	0	500150	650537	2272628	389032	203158	164517	907197	566186	431411	352052	661385	68089	764606	31043	212934	125898	33138	166108	48192	85836	181240	292918	662164	88855	821633	517535	481107	245427	543075	668130	397668	430047	232498	756581	721350	206279	896604	929397	335167	301814	383493	227302	1879018	826485	106052	415149	579742	887036	601413	816232	1486865	1329831	241697	2086775	667726	720815	570209	375922	900021	854477	596205	395230	148344	612804	844137	392523	206634	246507	45771	31372	645594	276254	402646	811169	1373697	365467	469391	645340	282088	351511	846303	752678	669885	845682	660187	943853	117595	874511	548004	239412	358255	711103	467915	337826	115886	47764	435359
alpha-D-Glucosamine 1-phosphate	25587	17718	27510	18970	8217	6312	8666	20335	16142	19548	25758	26509	26108	20968	21173	23598	11187	14808	15917	34334	20988	9095	43557	27696	12228	13795	12329	5627	0	14729	19329	30424	8328	19621	121484	9602	31613	21248	21210	16219	34438	16635	8631	18688	9699	19080	15702	16886	21806	20297	34567	23318	17857	154125	24974	5226	14005	9051	10210	7683	0	22578	3923	21045	32830	58917	23801	29322	2557	11902	10510	13080	23238	16588	15472	26048	17873	0	25479	42552	30360	38929	14698	11070	25910	21966	2925	4807	46345	23530	35764	27315	23137	21211	7372	34617	12132	29846	23026	31652	27495	6428
alpha-D-Ribose 1-phosphate	96159	81498	54551	64755	53736	53635	58313	77619	29825	66618	77319	49187	24456	85579	63139	78586	38850	67215	73444	110998	56055	71316	46110	62205	54579	72573	45559	50888	53353	31975	69302	106225	32486	65320	101513	46254	66858	79486	90869	70895	92463	41198	73004	24066	80322	76466	55269	26319	66351	89999	62838	79150	62329	361616	89566	322765	111256	65093	35205	44674	52875	82345	52492	68598	79071	255351	34668	56003	74510	33135	88573	67185	85166	97967	26877	49917	61242	94801	49339	117288	89683	134931	44323	26368	89708	63046	57875	68452	133616	101575	108489	92737	77314	92737	47586	437582	51845	69394	79349	103634	54174	34819
AMP	70751	20864	236348	59488	17219	367705	528863	871409	214541	336151	66334	138704	373712	116800	144315	217155	88053	594935	26105	144941	73384	55839	124091	42743	53580	78527	319487	387947	47290	954679	292673	92138	167757	339277	410633	421112	171895	347017	1262412	293182	259845	744592	433386	190990	238858	332702	80837	774683	397866	136198	57674	456428	165677	670448	489076	481516	953079	313800	787309	505417	241928	461121	634652	391126	208306	223903	156620	38504	449833	1052928	182449	136002	292422	99449	19477	1806773	328840	413671	531164	1150741	495804	680001	838501	302501	93915	324951	243061	207131	168417	134630	1256695	63021	235196	520966	489020	473243	633146	136854	894266	112049	53019	600702
Ascorbate	275414	261449	381536	281582	293922	176357	235565	239982	219861	337496	215777	280682	733668	1643629	373201	2812572	1751795	214843	241787	380352	274065	352664	250676	241178	366466	235300	205334	562872	251182	698339	1176320	1062556	214981	247020	228735	2068997	298722	293593	401628	1015150	308095	442416	420204	219654	263614	241121	248804	255296	230529	360176	302538	663167	5069760	238617	340230	486510	674070	1130075	260305	233854	572986	240638	150388	341836	242749	560046	723558	233172	137604	3882987	423478	267169	289399	261906	208751	203367	252208	145196	1110149	695654	856713	657334	349735	207580	1724544	660285	1134443	262484	519833	444313	923820	271216	844433	308052	169148	968499	3042736	7443500	328221	460254	164169	142281
ATP	42690	8402	5927	7255	0	144425	96497	810272	176742	48685	73379	227746	213520	174527	122912	220562	39358	251822	22996	60158	61598	0	22999	15204	51156	37008	62416	281914	43966	274940	160979	204364	15227	249908	246222	83056	53036	41017	174868	296282	57940	181480	172143	116442	55151	57948	72293	511481	325502	25547	101953	151945	280347	244465	116647	226386	549648	70057	431119	201338	119700	185286	41441	318089	383047	173693	135299	43860	217818	211034	67495	109911	34113	0	4334	225741	67355	173040	232852	281985	95425	147504	204228	90609	212743	306852	276249	278331	402042	301660	358979	49855	347815	95053	54998	94072	255066	250995	29691	56676	29660	63474
beta-L-Arabinose 1-phosphate	96159	43500	22033	8166	45050	53635	19019	25280	29825	34100	27276	32854	43941	65212	16307	37991	38850	39283	20414	33509	37149	63920	16379	45673	43997	29151	34023	50888	44176	56729	29430	24736	23798	37363	101513	30246	10635	20083	90869	69070	22261	41198	73004	42203	19674	76466	20889	55268	41565	89999	35727	21468	29845	361616	89566	322765	111256	65093	35205	30500	52875	55817	35359	61274	79071	255351	68367	12930	74510	33135	88573	34588	43302	47105	21579	59428	17014	94801	49339	66715	37163	88682	44323	26368	22012	49880	47276	45122	83627	59655	108489	92737	42189	40814	47586	437582	51845	42424	13183	35593	17275	34819
Carnosine	10950	3114	0	0	17179	0	0	0	868	6975	0	3712	0	5773	6800	0	14438	2177	2866	1251	0	0	0	0	12703	0	5297	1532	358885	0	4957	0	0	9345	8578	0	0	3838	10348	0	4207	12498	3720	5077	0	3255	7814	12013	6048	0	0	0	8140	18638	3012	45034	3073	1541	4226	3954	15431	19343	0	3446	0	15577	29761	0	15068	2768	13925	18778	0	51425	0	3688	0	4052	0	0	0	41528	0	0	0	12708	0	0	13573	3347	0	13635	4099	2709	2353	8335	0	0	3112	9237	20864	2394
Citrate	31496540	29043350	21549830	33221780	36986460	20405160	28083620	38841330	32642640	33061420	23060730	31047040	30377500	37426650	28982150	38563720	16987720	30652970	24629410	17183790	23524810	61397940	19201960	16302040	15314040	43286820	27715180	33535510	55443420	24962010	19706190	23909010	20350990	26980680	31867980	27733020	20274310	28933910	24157730	25128230	17705370	20864970	30880320	30078060	18090910	47896940	20647100	47078190	37974690	38589730	50960330	27998050	36246370	22193370	28062780	31138650	23824750	59330480	27914910	34599180	32715020	62987320	60170990	24021940	37625460	33103440	15327090	27369220	34163630	37051240	14627260	26950840	28652210	21037820	10496360	20848120	23265500	29328190	29502200	23654440	18706270	34841730	15669870	45222750	24244790	53445700	42861600	22482720	26758900	20586010	16714900	27623810	24904260	17435620	35584390	44325300	28693280	21364570	19387110	34803780	29271560	26735850
Cystathionine	4855	19921	23046	18771	56726	14037	0	0	0	25196	22055	0	0	130893	0	23551	12456	14026	14150	4534	59348	290481	5688	14486	127512	4875	8822	0	52979	6782	15324	18419	11682	17244	90132	54659	0	0	21085	21311	29805	17497	60594	9513	11852	129091	18030	18736	24324	46825	20827	11054	0	457495	37160	63747	16727	0	14082	31281	17976	0	36908	14622	9251	233062	35388	8063	6973	0	65033	37542	6638	5442	39267	32936	24326	17781	9388	76205	6045	80505	25775	0	4410	15016	11962	74662	27337	31360	8024	22891	0	64577	4019	247431	0	12592	0	0	40835	76637
Cytidine	105305	34245	20232	21473	70183	25213	26464	98871	69020	92119	33798	32075	33145	29435	10545	31870	25630	68107	24980	86477	13476	63887	19896	31172	31631	20812	92539	49786	23238	40273	36038	16291	4424	81242	38347	21886	9365	63301	158479	63988	46583	97075	78304	93144	29965	39917	58553	157794	196670	11363	17692	55376	25329	109216	91437	8994	186050	89638	40153	38102	40232	70704	46857	48522	45980	12001	18755	49792	139274	44145	26417	28776	14006	19527	11780	283242	24449	83553	78877	116893	45069	82399	95003	31062	17783	74366	30631	26717	50598	33624	116472	25866	66950	74594	53623	64139	57849	7861	108148	72293	123556	172777
D-Arabitol	135906	218036	58843	110402	92142	72520	56088	100678	79575	119109	48863	77122	69398	173631	90606	83856	199353	81527	70742	70580	79975	194260	175818	165928	146792	107261	184704	65837	134235	73798	90112	99213	91333	117318	320554	72761	65928	70140	131820	70632	42450	168438	161962	104201	67634	263150	82319	189486	102278	126306	64075	103441	102185	592495	122796	704944	83031	145022	75329	120398	217297	118670	165167	155813	111502	404022	405129	62621	142844	118000	270660	135682	55257	72315	74786	86191	64298	208439	116735	123780	69664	199376	76948	105719	45023	165813	45340	61035	218806	65846	87017	218448	57190	107666	81184	475531	64350	76493	87256	81386	368025	85379
Decanoic acid (caprate)	3522255	1427643	1064241	1896265	2106228	1404033	1133010	1636328	700821	1788571	1873381	1282803	1712159	1563152	1379372	1884552	1379814	1189542	1353218	1579086	1079172	1846452	2196363	1360861	1622570	1190009	1569459	1362204	1344572	1910614	1653492	1372580	1194458	1599822	2363981	1723320	1243572	1704564	1410128	1907614	1571753	1407058	1330847	1972384	1899667	2053970	1649696	2200926	1611214	1443787	1908044	1677767	1645356	1470218	1605177	1210892	1844716	1334072	1224946	1518595	1650162	1963804	1962649	1321646	1747888	1320482	1906100	1462459	2451532	1580757	1620713	2079234	1367306	1250754	1544449	1327503	1245598	1596738	1597562	1142994	1819472	1672464	1235073	1847172	1106220	2044963	1462666	1177520	2250182	1581518	1497648	1161319	1879279	1378738	1284389	900630	1861282	1310235	1726613	1644689	1558066	1367171
Dehydroascorbate	862329	828559	460735	854894	877397	586461	960788	1041330	938049	1086854	704755	789578	890062	1126600	724386	1159098	458700	850010	620620	400718	741371	1643798	564587	411295	356911	1076084	872877	991704	1588697	595261	538957	740110	366373	890173	1191415	843149	514992	819932	475374	910253	565458	611604	974460	1051660	554338	1367205	533164	1529276	1149316	888719	1496051	800341	1081376	919082	917046	1100845	754360	1804597	730245	982983	856349	2068034	2454572	718868	1161126	1190765	350490	1080497	1295723	953613	589891	863160	897475	776395	307763	585867	724203	665912	761125	675378	567210	1357355	430917	1093177	736555	1470613	1202675	650847	992397	627067	409401	1118149	745388	457524	1252391	1728057	826259	777587	567631	1309807	1111049	844878
D-Fructose 1-6-bisphosphate	31891	375	843	354	2970	2686	2512	383751	1547	1636	431	827	26405	2360	1650	1522	818	42524	0	1256	0	4928	1130	455	0	0	546	2283	3819	1427	3861	920	0	876	7634	5502	1390	613	4755	2443	958	3115	1307	545	683	3593	0	3759	29916	536	0	10610	1467	26266	0	1393	22808	1489	2472	3852	606	4437	1397	1720	2493	27074	1022	0	13289	12607	1145	1664	476	0	6841	91960	1964	515	1659	3383	6968	1093	4925	864	0	698	1362	3597	3271	2716	0	936	3547	3783	3764	639	3359	373	4398	539	501	5895
D-Glucose	20944980	17374830	43062110	25553080	27188340	16725870	21317650	16850420	17935550	32098930	16676050	24965330	16143580	33146720	33916890	26923970	25931820	17062540	15889680	30450240	18509960	25307520	22504220	21598090	37944500	23541770	19741570	13944690	20889450	16963880	19308470	38850380	25051340	17851190	19249300	20274990	26763970	25889780	42627880	16720280	28608250	44569820	8678365	16030120	23804670	21593530	24572960	24625500	19897190	39987080	21398790	68923180	20272470	7470906	30387030	35824220	9410589	8359768	27688710	21419060	66311270	15216190	13429460	24771420	13359650	20601350	32290080	16481640	11206410	14132620	32993110	19282250	20675920	18040950	15863080	17831400	24140400	14267360	37921880	71352800	27713590	59803570	16406930	18784730	17659840	14259840	18095050	22679860	48425740	35726170	34048210	28247310	20301080	25917860	15797350	27070670	18763880	19327580	29049240	40222000	13736590	9149751
Diphosphate	816100	1146877	635365	588350	693114	587513	1030104	426342	1684452	593743	290852	734321	727369	423973	418316	951118	444733	813693	165487	512069	539765	622605	486675	239077	828400	271856	1052838	860311	668397	373557	407638	246531	211307	573717	259134	290094	1096289	1375233	1876052	680127	476219	1068940	723169	893928	592353	831139	827016	2183556	1082077	316456	445573	680065	644657	4054915	1834648	1156642	1982211	1929814	355517	1052453	1047833	808568	1707817	796076	424154	745613	302887	177368	2152529	925371	891159	557962	832961	1485997	866559	1492009	296414	674475	1214524	1470917	557801	2057269	416540	1240401	320298	1166112	1502240	185799	464894	592562	1185828	702374	866656	638238	922933	1776529	1016021	281694	1075998	1023196	1179323	1838387
D-Rhamnose	1253521	1614773	285260	1915877	1027668	2030444	51319	2485236	2202290	933912	130711	3782770	1722487	2476640	93008	2972241	2318332	1782528	1469100	1612289	2130059	1225718	3329253	1143417	3272569	2011133	1619376	1797680	2552548	1329558	2201768	91924	2476411	1389873	1937097	1110454	1801139	2248152	55537	1175077	1158584	362303	3672899	3875876	69524	2981201	2355797	1603694	655848	1560998	1036850	90039	2044116	257233	568745	357487	1780978	2020599	2763581	3996067	696635	869605	672190	1620103	2117378	976963	448652	1019288	1665824	1178813	1053645	2304334	2737729	451025	637210	2200313	3588499	2723991	2334552	87884	1654019	681728	1230593	3305477	1191033	1846110	956560	1900655	196752	881563	757089	615661	1466910	1250912	2361234	195249	829843	1129407	2656601	1209582	1829116	2506975
D-Ribose	594488	1354806	1206366	712023	788510	481858	597412	482044	824531	935725	774718	896591	458365	2537722	947925	874697	753790	488737	1176109	885542	593132	874485	639801	595806	1051386	614655	1222405	412239	1896601	503296	503877	1318660	739719	490740	2530700	599352	803825	728698	1235070	470249	842387	1249878	1191287	967945	681179	1044408	619531	822396	571152	1099335	579832	1976098	579350	6625604	1021018	6548150	342284	713842	807037	635358	1855182	423229	877146	919564	515543	3700348	1962197	526984	1400880	397624	2918567	574149	619355	500518	994852	511976	677331	871019	968321	2047362	816296	1688511	498415	528918	529160	931104	568932	639844	2128169	1251674	919322	2574100	579249	745751	723841	5726298	515214	1336091	872906	1200307	1244944	439295
Ethanolamine phosphate	133293	78230	141132	79726	90910	154646	129085	143502	123982	97691	122202	423599	236276	284659	95721	258852	83186	154486	38914	153116	152592	49751	90292	35193	63224	100251	175505	274351	76085	462334	230813	146141	76712	246639	149992	388073	171283	160139	364999	319422	179015	402221	450713	158851	113773	274741	149960	664056	232824	101655	171430	266001	241385	382578	341325	396405	559727	171281	570957	242504	179487	125803	98698	253399	250513	211178	102437	65958	222373	382064	211894	139859	146369	142243	62811	475604	218467	162053	311214	372123	301618	188330	322815	185943	123957	448443	199110	210781	191894	291531	633314	126414	290253	248277	255258	210018	324906	128347	300228	44661	92178	129037
Fumarate	109207	70930	92178	21236	56111	49356	109093	37072	60002	192862	56968	27702	108827	54935	49768	88471	43893	26276	76013	76900	59590	52948	51864	28123	59518	41881	63985	146073	97852	63133	27258	76264	58382	80168	49698	20970	46895	96607	115775	49429	113988	28728	27740	92244	41365	239767	37456	80142	105232	75348	58499	64741	110931	84122	85836	47717	119982	107568	45737	34740	74080	132275	189891	76118	72043	77079	51527	33758	90965	127160	26665	53374	137244	94051	21091	170723	25706	57669	48615	128523	100475	188909	95747	71936	62828	214092	43070	50197	82784	76958	171419	85536	46096	76962	134395	66634	107151	117898	184488	113353	173677	141165
Glutathione	0	6025	687	0	6459	2972	8632	29673	14788	10563	16572	26103	39353	6159	3914	20566	0	50540	0	26946	3211	0	2438	3599	3951	36391	12055	32215	0	39702	49487	4404	3366	19693	16005	6694	14403	1653	14309	41724	13365	24020	26159	44436	15397	18971	0	57393	34502	4727	13457	9157	21319	12675	14374	99404	45184	25950	103677	29654	15984	30533	0	17017	67849	66970	13933	4720	19676	48604	6443	21457	8771	2379	2616	12596	23181	0	56936	36308	25632	15292	50989	15818	4004	5976	66010	4168	12981	21128	114745	2765	77563	20005	9503	12006	111547	48743	27447	14481	19082	8093
Heptanoic acid	355506	336154	334765	248607	243418	316143	389020	334966	370597	336122	357540	276873	331640	258957	290870	238274	224333	281003	264128	301518	383963	264798	264369	251665	246940	273370	238696	286027	261545	257177	306644	259818	309709	380917	285405	284556	344176	261790	262327	369600	290671	271122	261046	283676	275498	326855	323378	353554	288432	264484	330706	234063	289235	380817	354919	311762	320305	320747	316774	225889	286627	276399	363574	308687	274022	321013	242077	426075	303124	263033	277702	271898	255555	291762	357847	241387	276777	293868	240891	302516	354636	237425	305681	228633	442934	277566	359595	353566	271899	363895	344373	309415	343670	239187	277978	328350	307761	371309	267891	319146	256690	283916
Hexanoic acid (caproate)	377264	366037	325015	255627	223252	342461	390559	362097	379353	329359	466234	240283	463264	296789	278381	252382	305604	361962	246859	217577	389465	258895	233716	265024	219319	334079	204056	315261	380902	339974	314306	230654	306214	452274	365941	272130	370800	225498	246180	431923	330116	345784	274003	292343	340057	359627	353063	486566	403590	482063	345480	221903	284705	328935	381738	308074	376712	472781	302518	223145	292646	403616	444384	345020	307393	420153	219810	423431	338347	283759	334652	382695	303303	393634	443111	249917	241772	226658	288112	369941	427253	249446	342027	236863	396709	320964	478349	346203	369076	407266	498294	352219	400488	274083	307903	348667	276920	424418	279173	277278	391847	364837
Hexose phosphate	142678	70325	67386	150599	103781	93761	34402	179446	89353	61296	52019	88681	59774	132092	90905	52045	33738	89610	128088	74893	55481	87180	90833	130508	42024	105202	114605	77301	31701	74164	102570	84133	34594	47086	35330	53647	39299	107406	124720	33620	68719	88992	74007	58615	108725	91861	38799	79629	81923	101795	89550	108447	113105	187959	72204	60623	97435	80428	52500	76547	120649	99593	79326	109330	93571	69726	59881	72875	52411	119010	69511	79122	100455	31034	56885	191870	41815	101440	50743	181966	67198	101619	40630	111076	53693	96010	49362	60290	88006	63987	93414	56894	59168	52138	64045	96073	99122	90714	86718	80781	72850	53781
Homocarnosine	68541	0	0	0	60841	0	0	0	0	0	6376	3231	2817	174427	0	0	5734	8781	0	0	0	10609	4707	0	0	76343	0	2605	1532470	0	0	0	0	5780	9237	0	3384	0	0	0	13443	50366	1436	11341	0	11166	6198	3048	0	9313	4403	0	11725	14568	0	88024	21084	0	3565	10022	55431	8599	2974	14853	0	44812	0	2501	0	3226	16248	23735	0	0	0	0	3810	2133	0	55789	0	47069	18061	5038	0	8706	0	0	20258	8878	0	3872	0	0	15177	30734	0	0	37222	2891	17235	23365
IDP	4121496	4329568	3619406	3137953	3811351	3862281	3560780	1925359	5459326	3246314	2483466	3192071	3403432	3064892	2932820	3618600	2890589	3803356	2033530	3318356	3096964	3642555	2796508	2588303	4164609	2313335	4250416	3385002	3888114	2394574	2601426	1844512	2034563	3208092	1935335	2551111	4125636	4655958	5001310	3550722	3327528	4185731	3554459	3530840	3317122	3187287	4013288	5412822	4388686	2397794	3139259	3513749	3179947	5419718	4048704	4086769	5223082	4736454	2418049	4706064	4235116	4028117	3579176	3491389	2806993	4128520	3284560	2072402	4888434	3936569	3957883	3073595	2971684	4039289	4297866	4615486	2440624	3903137	5237698	5010012	3542524	4400898	2701605	4926612	2664060	4506234	4327572	2225676	2647191	3367615	4311690	3433187	3857842	2987934	3576462	5361270	4058073	2385794	3538298	4093704	3546188	4102512
Inosine	52358	78481	66962	51050	39791	43196	284055	53361	117634	180169	80361	31552	89072	98506	67205	68944	89312	75516	76685	139732	81557	50252	29711	32672	75642	43473	41967	121837	50819	77473	57327	98214	83777	69760	127695	24916	73664	85557	222779	78379	155869	186313	57784	86625	83101	64217	70547	135335	165268	200318	47329	121270	38176	361567	212044	266818	72628	105978	75538	61261	82571	177946	105998	85275	49759	140742	117391	42994	61419	54484	133119	74212	130401	198780	32810	118649	53770	72960	120576	531964	137170	549773	97882	66343	75702	81728	70225	45281	162347	166837	405634	91753	120336	259133	418240	285441	123598	84449	148048	583376	52031	88944
Lactate	118480900	43795040	112151100	61145680	62607140	97901140	157533300	61060190	208912300	208973600	65808180	61474940	105545300	90535070	76652800	75639500	118378400	67335850	34551450	80527260	58966610	59245100	63438040	29157930	46923520	53011780	153724100	102277000	71445510	116526400	130203300	53786720	90473090	96229440	72553990	85624800	66669450	166218700	0	105731700	158685600	64189630	148562300	160037100	85710410	150381300	85630540	229871200	107483000	71745820	50584000	131657900	52969790	244818600	208308000	92295270	113373200	160110400	174685700	82534080	111191500	134718100	191835300	87987550	85929060	55490750	77140850	53162260	143210400	197431800	91064470	51541070	91796440	71107450	70832100	159392200	93773900	166472900	181597600	135458000	159422100	152225300	203238600	87729240	62597230	164301300	129852300	60251220	61939000	83658140	254921000	112057100	125918700	161818700	145717700	143191300	223139200	69374840	205905400	142759000	123323000	62180210
L-Arabinose	594488	1354806	1206366	712023	788510	481858	597412	482044	824531	935725	774718	896591	458365	2537722	947925	874697	753790	488737	1176109	885542	593132	874485	639801	595806	1051386	614655	1222405	412239	1896601	503296	503877	1318660	739719	490740	2530700	599352	803825	728698	1235070	470249	842387	1249878	1191287	967945	681179	1044408	619531	822396	571152	1099335	579832	1976098	579350	6625604	1021018	6548150	342284	713842	807037	635358	1855182	423229	877146	919564	515543	3700348	1962197	526984	1400880	397624	2918567	574149	619355	500518	994852	511976	677331	871019	968321	2047362	816296	1688511	498415	528918	529160	931104	568932	639844	2128169	1251674	919322	2574100	579249	745751	723841	5726298	515214	1336091	872906	1200307	1244944	439295
L-Homocysteine	85233	21046	39409	60776	117014	36360	112442	57231	40320	43343	45666	37308	52491	34988	96916	19029	17125	172104	33458	34327	35254	61951	49614	17275	148896	57008	38075	27791	92763	39821	40937	80496	32469	44641	50780	25556	25308	47425	44139	45059	30073	102643	62025	35862	38948	63317	78828	71179	66790	58264	46251	33621	77971	62241	48713	89187	40157	57288	40433	45823	112078	47605	68212	34050	55744	31507	69789	36190	72014	62291	79520	60343	53310	14012	77911	70107	37006	111403	62559	57710	21068	113384	38549	72763	16974	84743	38712	29840	33906	116346	42345	25021	47318	55331	34986	103111	34646	18297	25257	87833	93851	50439
L-Methionine S-oxide	59198	15489	61354	45270	92302	5111	2171	27948	23166	35314	58296	36178	15201	42309	13296	31319	24792	32877	11210	25181	25719	147172	68505	18033	37988	44103	55991	7541	92629	31068	12320	29942	33265	34786	25867	45871	23523	38732	29121	18421	43633	110094	15955	39817	15216	41156	26960	79452	8456	91521	29534	46327	19607	30053	35934	44848	21084	10848	39879	35283	74730	13656	17498	27846	25154	19902	63861	9979	34579	17044	28363	46091	13196	13140	17131	28187	29918	26817	54779	50118	16582	52125	25086	42903	5921	45444	15482	20106	20407	27845	17501	37971	43143	57982	68083	28563	6449	6939	39387	8634	38768	33040
Malate	1362424	758612	1070630	697688	829941	649959	1497467	1033566	1472901	2407233	795282	683078	1339147	1057258	861769	1189238	868303	1033244	1538748	534815	900812	401139	543044	509420	386836	837883	1046588	2014955	1589830	836313	824225	1397951	520571	1058377	811958	815287	491183	1275212	1856730	1037726	1918193	863071	1314677	1619798	1105113	2611850	585687	2051404	1652204	1424826	1021283	983844	1015540	901862	1182201	489405	1374391	1665825	765431	821414	1327447	2135060	2536015	835471	1150717	708064	527071	832619	1569590	1517834	407778	769837	1430000	1369574	694620	2395238	1013110	1043555	1369060	1806890	1591004	2650170	1601456	1088838	1012408	3593662	1575801	488503	816227	1227405	2059357	1358136	1104310	1616992	2303139	1004014	1366360	849393	1731630	1961086	1855271	2819791
Maltose	110713	18903	347276	32575	24059	31496	11792	32412	66748	126933	28633	82826	33639	83932	55161	111963	635018	27595	380205	48924	261677	974961	50208	79278	125631	40056	104667	37480	194172	105743	37751	77121	24125	163631	246542	51514	39240	99813	174830	37627	85800	186516	37031	41779	38647	156219	43049	363903	117015	192619	32611	206413	54856	889791	139749	650398	74104	93161	178593	37522	150569	60528	75654	99662	41854	1199789	247808	54165	223703	68023	191481	311426	35467	23876	46602	154141	66506	116543	121521	358826	234262	406651	63856	32467	26734	209121	26496	26456	112685	98225	196101	508944	118661	41231	60385	700991	34296	79142	194222	79059	237702	68882
Maltotriose	15197	0	23903	5386	0	11035	0	3471	25037	15421	0	112230	15530	15612	5657	19036	19623	5684	2615	26377	0	40423	9912	4186	21718	14686	17182	30560	8941	64011	8536	15802	0	19342	7839	52519	3381	0	35864	34395	25535	26134	13288	2706	0	20939	3876	108943	35564	0	28686	31420	41785	36750	32915	130294	24108	16784	160775	8501	34294	7849	0	33464	34539	109840	37150	16075	13482	23876	31326	8036	0	0	0	17237	12040	7149	47040	99685	6121	69742	36117	4252	13786	33792	8251	22819	45414	41533	88612	10807	40492	4541	7513	35130	13549	14416	20701	0	0	4043
Mannitol	441001	423737	444520	640989	420653	407630	230694	308131	318327	719157	591277	316698	615326	398281	326697	210419	66553040	310303	214676	337956	450180	369842	1037442	281590	692084	552111	458942	375843	1154585	298582	368479	190205	492472	729032	3185743	423756	293936	553859	411704	331844	432449	785205	409601	374905	368190	992493	883186	753354	255428	557320	382964	298456	371626	1757572	1024728	9720252	582691	1485600	865196	682324	677854	350027	345400	359631	311378	9856599	612441	232037	388313	990874	2108004	404646	491015	2538516	479735	754025	526218	1128828	565132	1253060	417737	675325	444559	664922	100610	475607	284434	308975	3444068	583927	411384	401574	304136	567829	646470	2116437	433018	212880	300093	298959	7996300	695867
N-Acetylneuraminate	161020	277726	202766	105084	92866	215315	159779	146725	164421	113655	116374	236630	381759	442468	213326	381873	280501	134835	80836	128270	240004	206867	83537	220046	219338	112044	163557	319070	124429	500641	223447	125834	164489	356762	900533	466380	165007	151755	657020	277132	122937	608539	482961	140421	132751	525630	262088	264606	161987	169640	103794	198532	236826	1977479	277530	692413	454210	162061	213890	179302	254235	114030	208781	530966	290942	462031	619720	84338	187019	175682	547716	283057	204675	232027	187549	270430	176936	223799	194419	457345	276756	357784	205080	198083	123109	212973	238896	412923	429856	313244	338634	339392	305042	252272	201410	1180832	347391	170224	209008	291133	151793	137503
N-Methylethanolamine phosphate	227566	292893	38238	183176	52133	27378	41886	90863	70732	318320	33662	546412	29574	290089	149153	183289	357894	432383	226629	0	189973	741204	95183	382187	547540	0	136632	0	150053	82670	383999	76058	154327	194484	0	0	133989	0	91438	132243	363746	72795	168472	594645	0	471276	197062	379340	0	117645	103155	451020	410268	78189	102572	277522	101652	101659	239670	392775	372552	181191	190603	258938	0	49811	589354	165774	164582	133923	172323	145771	317615	0	32484	91719	63498	524516	56244	121885	172604	512401	56642	348644	107703	381527	93089	66913	339628	84740	94292	159713	47561	285113	84100	105475	123536	17976	322577	308447	241304	141392
Nonanoic acid (pelargonate)	2830799	1607904	2530795	1929976	2504620	2428340	1513158	1995084	2014886	2330344	2935238	3001891	2378751	1845446	2191712	3137705	2460216	3153443	3107840	1321160	2508236	1756230	3111962	2252991	1971063	1773216	2068813	2435742	2758138	1659084	2483448	2462197	1985298	2600109	1458918	2292589	2267557	1872712	2025946	1763794	1951624	1671204	2017972	2896729	4179129	3697726	2134698	1727474	2736336	2457114	1715298	2000666	2784868	3214059	2985575	2346258	2073080	1864198	3149773	2596092	2253579	2141957	2443768	2255840	2328396	1808468	2539342	2405537	3173209	2780634	3368669	2476550	4528306	3245361	3823789	1278462	2587243	1857581	1472249	1201802	3208440	4556064	1635324	2448251	3475081	5091652	1508464	2561153	3308345	3403453	2073720	2703850	3382420	4506388	2975118	1772476	2354667	1931323	4017202	2647629	3578517	3415482
N-Succinyl-L-citrulline	628367	422435	189339	411297	991171	205998	171740	577390	644722	696408	429756	505845	559940	209090	391990	141365	146188	445628	114440	475114	399850	398832	486388	180768	126829	433706	523196	333284	288164	173228	256508	362781	101991	328904	264650	638192	308452	210417	63406	311346	206576	339405	213298	471794	101546	349630	564782	465168	361358	798833	475910	274315	324149	146946	105549	357495	227078	286070	738171	446585	600784	302998	110403	318177	375764	525211	147334	175995	288707	173937	279152	231429	152853	26147	336195	201552	522398	373502	638343	288915	222146	219953	204899	422081	421232	314606	316723	199343	83993	406855	353122	106060	380718	613889	214112	198268	603517	203935	143181	521576	399665	11710
Octadecenoic acid (oleic acid)	997196	775189	586726	790817	1174398	945771	1166734	1193313	573736	1099676	971878	1192971	1608534	832021	822197	1282636	670538	1142927	1759403	1163400	774412	860664	978455	944435	1149689	935638	963811	1821415	799929	1503762	1523027	1176915	907902	1852479	1049048	858868	716836	941601	844062	1896235	1014536	812051	1098232	1153278	1285068	1976437	929358	1122849	925569	819719	1120795	861446	1410368	882531	575637	968696	1721801	1260756	692557	844802	787263	2027066	1130314	667642	1373382	807702	1231626	789698	1234394	1381089	898408	2551591	1570663	936931	839546	891133	793088	971013	1481329	846190	1007910	963841	794603	965155	652886	1116773	1741743	854435	2558143	978365	896751	780556	1302336	1457777	959984	674251	723786	797988	1006650	1145567	1129443	1457528
Octanoic acid (caprylate)	6588318	910591	1918919	911303	715278	892784	1028059	1035771	484784	1184934	962490	881343	1559900	805658	1014096	766699	1155323	995330	1082210	1034182	552820	905511	2341788	791708	802481	1191217	1292628	1241776	1188222	897669	1004484	792701	974282	1397682	971745	927982	762946	820725	783639	1232917	963315	1414095	1041228	941983	1243078	1172039	1102154	1570765	927569	1836287	1333008	753830	891020	798864	811185	1083063	1489146	1693021	837883	864685	1231932	1352921	1434490	892230	893433	1419393	899503	1105339	1094888	905656	946801	1512751	940433	10180870	842897	656962	970474	828589	1056512	1186967	1155968	703850	981941	708024	879954	741586	1189619	621548	1128720	1280503	1290572	1132863	1451504	918079	992878	921319	1056393	824967	1058460	824488	1584838	1145746
Pantothenate	298582	286304	28773	81545	39052	37169	31510	14223	50134	59172	189266	64533	66464	109644	52102	70941	687785	53203	44121	45784	57420	94772	220255	76179	120102	77417	213496	112240	65206	47196	32789	54482	78374	60851	46988	43728	39016	60813	67643	38031	22660	76504	80188	83443	39635	56474	51815	63817	76972	47248	57519	118806	173986	140105	69771	300850	34551	81559	88353	61222	149655	77786	35888	69404	213842	69887	119004	84928	44519	81144	97101	147171	44320	125028	9306	48673	75386	193830	84836	129062	57729	83285	19910	66641	53604	142546	56102	58342	132803	75976	212219	133091	40878	39358	104012	366360	83831	38966	39721	47549	53521	36902
Phosphate	41480320	51182880	30857190	31153850	28967230	35181760	36961040	25116780	44109920	32486250	27117440	31925870	39655100	25327590	25585870	43104430	29397940	41456420	18810230	36267720	35589040	29604350	26084570	23538970	32759150	23726350	36994490	37860980	30539720	30629190	27779560	23393900	18273360	36990070	23648890	23105830	38557170	41676950	43572880	37821380	34452860	35582980	31551970	46926500	31522300	35843680	36843510	52589700	48889410	22401460	28422950	29994430	35033220	62056880	52337460	34024430	51377890	57062560	21850190	39574430	32484530	43325570	44444500	37534380	32344770	38761790	20609550	21326940	61377090	37563850	33504310	38469320	38351840	56003850	44454130	48403680	23293970	32036460	38634860	40091360	35271560	55826060	27939090	39286200	28250610	47353570	46666350	19713900	33787470	34899820	40959940	34039980	42250020	34527080	32522240	48068230	36316490	26405820	38221180	40438000	45199920	51987000
Phosphoenolpyruvate	66898	656	16000	6633	5864	9346	0	2111392	23179	548	661	5215	33313	1178	3385	3660	4438	161018	1269	0	366	7035	36093	9761	8352	5397	8048	6662	1713	13047	6068	3494	548	490	23329	5279	1595	7309	24234	17931	0	1347	2796	4980	4478	7080	3855	7222	405	584	4860	3637	3791	829	501	8402	83174	535	24023	8190	1746	588	497	755	973	26974	5394	7433	39825	73774	5308	1505	813	1049	967	68506	2620	4220	5912	1071	11708	543	437	6429	483	429	420	3459	722	301	75285	3030	6228	1169	7736	556	9996	7929	1821	478	874	468
Pyruvate	6546860	5527575	7747300	7768282	6594382	7217682	16666310	6359926	18632840	13769260	8635084	7477590	12019180	10065320	6104614	7472566	10441020	8700618	7582418	11253360	7895884	8044022	8275240	5188408	9036851	8597023	15348000	16879640	8383198	7105692	7682750	6286958	10394220	8736635	5270002	7497376	8859756	12028320	18784800	10415960	9971381	9544756	8760768	12998770	8061946	10837630	9383325	16368150	13475790	13489490	5698076	6947890	5391866	12153030	17217700	6410088	15905370	20410090	11325420	9120129	8723930	21645440	20309520	9674995	7435132	6191688	6623722	5278044	16387890	11542520	11398970	10019440	11300660	18634940	8822360	16355780	8844364	13187680	14684380	18512220	8788697	21951480	13362900	11761680	7397976	13107930	10872840	6129280	7772994	10540460	20729000	8730711	14746110	17002550	10290050	16957090	14428280	10405760	12330470	30024340	8092224	17986150
Succinate	729957	508635	347522	417772	333393	650872	1450897	492412	555203	724519	544523	556808	506556	543342	450046	544187	476984	595987	1485920	375903	439106	313959	542800	341185	312259	576043	462842	862837	779048	702173	756112	373568	589431	760807	590701	601018	338821	796258	1453188	651368	730808	1432674	1493503	950135	564891	1164938	448866	964399	983208	364624	623808	543544	537779	1210273	1121992	630365	1568351	1172162	468327	680084	448564	714802	2323485	443124	648651	870744	385426	455296	995962	960836	357696	641723	1023097	1208786	299056	1242763	504805	623968	701738	1588564	754204	1103069	799434	716981	627653	1197023	1234004	409200	457413	829911	1317577	500645	437685	1157796	575337	767762	1118666	329790	1885993	775361	496590	1301549
Taurine	11800170	5069266	10654160	9222679	9414624	9873008	4878688	13117540	13858600	15129220	8374460	24156260	11329930	20475250	10051620	17612450	6395330	11611620	3110080	7865874	6328556	4737217	12905220	5293490	7962204	13449240	21240090	21929600	9826129	25884320	17001800	10740480	6730734	12056760	10323500	17877450	9347619	14159270	37823500	16647640	12150650	30554660	23777520	14782950	7795408	14080000	8925481	34393620	18958850	8649283	11593320	17551980	19902530	21491860	21174270	16100590	26530470	13023920	41137930	14785180	25471210	14498790	11244040	16723070	12429370	12188120	12821410	8121998	17195620	27747730	13178480	6484054	13305870	2351722	5777806	30723930	9730465	15770260	21369570	38062480	17837490	19256650	20923490	14725320	9565559	13743030	11760130	15530580	16821910	9915352	34053500	16195360	19596030	13484770	18547410	14599850	24816190	8930457	16684560	9989057	10246170	10042550
Thymine	134722	146998	138149	146019	138875	100682	84541	141663	130430	106269	119831	132780	128934	124407	135501	120975	114640	136805	115389	135035	121594	127358	158490	115734	107679	124609	98088	109146	114542	117218	126639	134041	134027	124158	120552	148446	114103	132042	105597	122727	116820	100755	124529	136966	114828	117914	155092	112115	134985	147566	163415	38373	136121	98843	120697	100188	116099	139842	115552	110307	161776	134655	140014	109186	134814	120853	117010	108510	135405	121944	103495	127193	133813	98026	129514	127154	137576	102861	127305	78247	98197	100613	123740	149085	106411	115811	120986	103782	103952	129940	38414	75368	134173	151350	101109	105209	136743	100151	99984	142635	132277	120410
trans-4-Hydroxy-L-proline	659966	871831	427231	549451	1190548	394242	614545	446621	271514	440678	598302	388088	352823	511346	386610	291180	392487	526987	414782	363604	988253	837217	288794	622699	755451	532676	488931	291337	1114734	385198	280025	252627	431978	1637970	1097617	477634	437466	398445	281517	437969	378274	867339	716479	676815	409692	2251290	407090	705332	285055	863314	462944	339450	566167	1922034	473396	818503	593359	579578	333983	681527	608005	420649	1173269	518751	425870	905282	1263754	353979	334658	447071	486790	753844	503168	437961	320813	419081	403220	569111	416210	609517	335365	941674	386142	615248	227024	447112	473156	280941	581952	517957	361671	460785	474555	592253	433853	1351192	285881	305518	388845	560582	859691	607455
UDP	1794649	1803851	806474	2365781	2257003	1448795	1355005	1617788	472980	1379017	825443	2379845	1853087	1959968	2237623	2443317	2570170	2366945	2511329	1667754	576807	1835913	2607545	2032760	2158893	2133362	2300747	1768667	1478808	2024905	2597676	2090464	1299074	1731580	1860176	1823042	1139868	2461373	2115709	1484341	1959543	2037857	2394561	2219882	2715315	2597160	1465183	1959714	1783177	2582080	1884774	2140876	1903565	590960	844794	2009699	1847488	1642774	974374	2034063	1587539	2153052	1443176	935844	1850308	1643906	2163571	607351	2300990	2544691	1565875	1872878	2937508	2029277	1275724	2215444	1923647	2228844	1801213	1996358	1155615	2553154	1579094	2305308	554327	2086851	1387071	749918	2166486	1901374	870972	739724	1406834	2810204	945244	704645	1544632	498271	2716501	1848801	2284362	2076975
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG_ID	m/z	rt
1-3-Bisphosphoglycerate	C00236	264.9522	0.59
2',3'-Cyclic CMP	C02354	304.0387	0.73
2/3-Phospho-D-glycerate	C00631	184.9845	0.55
2-Hydroxyglutarate/Citramalate	C02630	147.0285	0.58
2-Oxoglutaramate	C00940	144.0289	0.62
2-Oxoglutarate	C00026	145.0129	0.56
4-Pyridoxate	C00847	182.0449	1.03
5-6-Dihydrothymine	C00906	127.0498	0.65
5-Oxoproline	C01879	128.0339	0.62
ADP	C00008	426.0218	0.56
alpha-D-Glucosamine 1-phosphate	C06156	258.0381	0.65
alpha-D-Ribose 1-phosphate	C00620	229.0114	0.62
AMP	C00020	346.0547	0.63
Ascorbate	C00072	175.0234	0.64
ATP	C00002	505.9875	0.57
beta-L-Arabinose 1-phosphate	C03906	229.0114	0.58
Carnosine	C00386	225.0979	0.67
Citrate	C00158	191.0185	0.55
Cystathionine	C00542	221.0591	0.63
Cytidine	C00475	242.0786	0.64
D-Arabitol	C01904	151.0600	0.66
Decanoic acid (caprate)	C01571	171.1380	2.18
Dehydroascorbate	C05422	173.0077	0.55
D-Fructose 1-6-bisphosphate	C00354	338.9879	0.50
D-Glucose	C00031	179.0548	0.65
Diphosphate	C00013	176.9348	0.58
D-Rhamnose	C01684	163.0604	0.67
D-Ribose	C00121	149.0444	0.63
Ethanolamine phosphate	C00346	140.0105	0.61
Fumarate	C00122	115.0020	0.56
Glutathione	C00051	306.0761	0.63
Heptanoic acid	C17714	129.0907	1.79
Hexanoic acid (caproate)	C01585	115.0750	1.71
Hexose phosphate	C02965	259.0202	0.52
Homocarnosine	C00884	239.1140	0.67
IDP	C00104	427.0072	0.57
Inosine	C00294	267.0721	0.63
Lactate	C01432	89.0227	0.62
L-Arabinose	C00259	149.0446	0.63
L-Homocysteine	C00155	134.0273	0.67
L-Methionine S-oxide	C02989	164.0374	0.65
Malate	C00149	133.0128	0.56
Maltose	C00208	341.1085	0.66
Maltotriose	C01835	503.1606	0.65
Mannitol	C00392	181.0702	0.67
N-Acetylneuraminate	C00270	308.0977	0.61
N-Methylethanolamine phosphate	C01210	154.0247	0.64
Nonanoic acid (pelargonate)	C01601	157.1220	2.06
N-Succinyl-L-citrulline	C18048	274.1041	0.59
Octadecenoic acid (oleic acid)	C00712	281.2482	3.04
Octanoic acid (caprylate)	C06423	143.1062	1.92
Pantothenate	C00864	218.1026	0.65
Phosphate	C00009	96.9678	0.59
Phosphoenolpyruvate	C00074	166.9757	0.56
Pyruvate	C00022	87.0071	0.63
Succinate	C00042	117.0176	0.56
Taurine	C00245	124.0059	0.64
Thymine	C00178	125.0341	0.64
trans-4-Hydroxy-L-proline	C01157	130.0495	0.65
UDP	C00015	402.9998	0.94
METABOLITES_END
#END