#METABOLOMICS WORKBENCH mchughce_20191213_075454 DATATRACK_ID:1867 STUDY_ID:ST001294 ANALYSIS_ID:AN002155 PROJECT_ID:PR000876
VERSION             	1
CREATED_ON             	December 22, 2019, 5:17 pm
#PROJECT
PR:PROJECT_TITLE                 	Estimating Platelet Mitochondrial Function in Patients with Sepsis
PR:PROJECT_TYPE                  	Quantitative NMR Metabolomics
PR:PROJECT_SUMMARY               	Sepsis patients and ill controls admitted to the ED had matched whole blood (WB)
PR:PROJECT_SUMMARY               	and isolated platelet samples collected. The control group was chosen to
PR:PROJECT_SUMMARY               	represent an acutely ill 127cohort of the same racial, sex, and age as the
PR:PROJECT_SUMMARY               	sepsis cohort. NMR was run on extracted WB and platelets to determine how the
PR:PROJECT_SUMMARY               	metabolome reflects mitochondrial function
PR:INSTITUTE                     	University of Michigan, University of Mississippi, University of Minnesota
PR:DEPARTMENT                    	Clinical Pharmacy (UMich); Emergency Medicine (UMiss)
PR:LABORATORY                    	Stringer NMR Metabolomics Laboratory
PR:LAST_NAME                     	McHugh
PR:FIRST_NAME                    	Cora
PR:ADDRESS                       	428 Church St, Ann Arbor, MI, 48103, USA
PR:EMAIL                         	mchughce@med.umich.edu
PR:PHONE                         	7343530164
PR:FUNDING_SOURCE                	GM111400, K23GM113041
PR:CONTRIBUTORS                  	Kathleen Stringer, Mike Puskarich, Marc McCann
#STUDY
ST:STUDY_TITLE                   	Estimating Platelet Mitochondrial Function in Patients with Sepsis - Platelet
ST:STUDY_TITLE                   	NMRs (part-I)
ST:STUDY_TYPE                    	single timepoint
ST:STUDY_SUMMARY                 	Relationships between platelet mitochondrial oxygen consumption rates (mOCR) and
ST:STUDY_SUMMARY                 	metabolites in platelets as measured by quantitative 1H-NMR metabolomics.
ST:STUDY_SUMMARY                 	Samples collected in ED at a single timepoint. WB and platelets isolated from
ST:STUDY_SUMMARY                 	the same blood samples. Comparison of mitochondrial function and metabolomics in
ST:STUDY_SUMMARY                 	patients with sepsis and non-sepsis ED patients
ST:INSTITUTE                     	University of Michigan, University of Mississippi, University of Minnesota
ST:DEPARTMENT                    	Clinical Pharmacy (UMich); Emergency Medicine (UMiss)
ST:LABORATORY                    	Stringer NMR Metabolomics Laboratory
ST:LAST_NAME                     	McHugh
ST:FIRST_NAME                    	Cora
ST:ADDRESS                       	428 Church St, Ann Arbor, MI, 48103, USA
ST:EMAIL                         	mchughce@med.umich.edu
ST:PHONE                         	7343530164
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	23
ST:NUM_MALES                     	12
ST:NUM_FEMALES                   	11
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	32-67
SU:GENDER                        	Male and female
SU:HUMAN_RACE                    	Caucasian (C) and African American (AA)
SU:HUMAN_ETHNICITY               	non-hispanic
SU:HUMAN_INCLUSION_CRITERIA      	Sepsis: 1) Suspected or confirmed infection; 2) Any two of four criteria of
SU:HUMAN_INCLUSION_CRITERIA      	systemic inflammatory response in ED(18); 3) Age ≥ 18; 4) Lactate ≥ 2.0
SU:HUMAN_INCLUSION_CRITERIA      	mmol/L; 5) Enrollment within 2 hours of initiation of quantitative resuscitation
SU:HUMAN_INCLUSION_CRITERIA      	protocol. Controls: admitted to the emergency department and had no medical
SU:HUMAN_INCLUSION_CRITERIA      	conditions that required chronic administration of medication expected to affect
SU:HUMAN_INCLUSION_CRITERIA      	platelet function (aspirin, PGY12 inhibitors, etc)
SU:HUMAN_EXCLUSION_CRITERIA      	Exclusion criteria were:1) any primary diagnosis other than sepsis; 2)
SU:HUMAN_EXCLUSION_CRITERIA      	established Do Not Resuscitate status; 3) transferred from another hospital with
SU:HUMAN_EXCLUSION_CRITERIA      	sepsis therapy already initiated; 4) cardiopulmonary resuscitation (chest
SU:HUMAN_EXCLUSION_CRITERIA      	compression or defibrillation) prior to enrollment; 5) patient or legal
SU:HUMAN_EXCLUSION_CRITERIA      	representative unable to understand and sign informed consent.
#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           	C01H08	233_33	Condition:Control	Age=29; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.33
SUBJECT_SAMPLE_FACTORS           	C02H03	233_11	Condition:Control	Age=53; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.11
SUBJECT_SAMPLE_FACTORS           	C03H02	233_34	Condition:Control	Age=56; Gender=M; Race=African-American; RAW_FILE_NAME=233.34
SUBJECT_SAMPLE_FACTORS           	C06H14	233_30	Condition:Control	Age=35; Gender=F; Race=African-American; RAW_FILE_NAME=233.30
SUBJECT_SAMPLE_FACTORS           	C07H06	233_37	Condition:Control	Age=53; Gender=M; Race=African-American; RAW_FILE_NAME=233.37
SUBJECT_SAMPLE_FACTORS           	C08H11	233_39	Condition:Control	Age=55; Gender=M; Race=African-American; RAW_FILE_NAME=233.39
SUBJECT_SAMPLE_FACTORS           	C09H13	233_35	Condition:Control	Age=30; Gender=F; Race=African-American; RAW_FILE_NAME=233.35
SUBJECT_SAMPLE_FACTORS           	C10H09	233_01	Condition:Control	Age=56; Gender=M; Race=African-American; RAW_FILE_NAME=233.01
SUBJECT_SAMPLE_FACTORS           	C11H21	233_07	Condition:Control	Age=33; Gender=F; Race=African-American; RAW_FILE_NAME=233.07
SUBJECT_SAMPLE_FACTORS           	C12H05	233_02	Condition:Control	Age=64; Gender=F; Race=African-American; RAW_FILE_NAME=233.02
SUBJECT_SAMPLE_FACTORS           	C13H15	233_17	Condition:Control	Age=61; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.17
SUBJECT_SAMPLE_FACTORS           	C14H27	233_06	Condition:Control	Age=24; Gender=F; Race=African-American; RAW_FILE_NAME=233.06
SUBJECT_SAMPLE_FACTORS           	C15H30	233_05	Condition:Control	Age=36; Gender=M; Race=African-American; RAW_FILE_NAME=233.05
SUBJECT_SAMPLE_FACTORS           	C16H19	233_18	Condition:Control	Age=37; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.18
SUBJECT_SAMPLE_FACTORS           	HAPS01	233_19	Condition:Sepsis	Age=89; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.19
SUBJECT_SAMPLE_FACTORS           	HAPS02	233_38	Condition:Sepsis	Age=55; Gender=M; Race=African-American; RAW_FILE_NAME=233.38
SUBJECT_SAMPLE_FACTORS           	HAPS03	233_10	Condition:Sepsis	Age=59; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.10
SUBJECT_SAMPLE_FACTORS           	HAPS04	233_22	Condition:Sepsis	Age=78; Gender=M; Race=African-American; RAW_FILE_NAME=233.22
SUBJECT_SAMPLE_FACTORS           	HAPS05	233_28	Condition:Sepsis	Age=73; Gender=F; Race=African-American; RAW_FILE_NAME=233.28
SUBJECT_SAMPLE_FACTORS           	HAPS07	233_20	Condition:Sepsis	Age=48; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.20
SUBJECT_SAMPLE_FACTORS           	HAPS08	233_31	Condition:Sepsis	Age=33; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.31
SUBJECT_SAMPLE_FACTORS           	HAPS09	233_32	Condition:Sepsis	Age=66; Gender=M; Race=African-American; RAW_FILE_NAME=233.32
SUBJECT_SAMPLE_FACTORS           	HAPS10	233_04	Condition:Sepsis	Age=55; Gender=M; Race=African-American; RAW_FILE_NAME=233.04
SUBJECT_SAMPLE_FACTORS           	HAPS12	233_24	Condition:Sepsis	Age=67; Gender=M; Race=African-American; RAW_FILE_NAME=233.24
SUBJECT_SAMPLE_FACTORS           	HAPS14	233_21	Condition:Sepsis	Age=39; Gender=F; Race=African-American; RAW_FILE_NAME=233.21
SUBJECT_SAMPLE_FACTORS           	HAPS15	233_25	Condition:Sepsis	Age=68; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.25
SUBJECT_SAMPLE_FACTORS           	HAPS16	233_29	Condition:Sepsis	Age=43; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.29
SUBJECT_SAMPLE_FACTORS           	HAPS18	233_08	Condition:Sepsis	Age=67; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.08
SUBJECT_SAMPLE_FACTORS           	HAPS19	233_12	Condition:Sepsis	Age=38; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.12
SUBJECT_SAMPLE_FACTORS           	HAPS21	233_16	Condition:Sepsis	Age=28; Gender=F; Race=African-American; RAW_FILE_NAME=233.16
SUBJECT_SAMPLE_FACTORS           	HAPS22	233_13	Condition:Sepsis	Age=52; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.13
SUBJECT_SAMPLE_FACTORS           	HAPS24	233_09	Condition:Sepsis	Age=69; Gender=F; Race=African-American; RAW_FILE_NAME=233.09
SUBJECT_SAMPLE_FACTORS           	HAPS25	233_27	Condition:Sepsis	Age=70; Gender=M; Race=African-American; RAW_FILE_NAME=233.27
SUBJECT_SAMPLE_FACTORS           	HAPS26	233_03	Condition:Sepsis	Age=49; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.03
SUBJECT_SAMPLE_FACTORS           	HAPS27	233_15	Condition:Sepsis	Age=24; Gender=F; Race=African-American; RAW_FILE_NAME=233.15
SUBJECT_SAMPLE_FACTORS           	HAPS28	233_14	Condition:Sepsis	Age=54; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.14
SUBJECT_SAMPLE_FACTORS           	HAPS29	233_26	Condition:Sepsis	Age=62; Gender=F; Race=Caucasian; RAW_FILE_NAME=233.26
SUBJECT_SAMPLE_FACTORS           	HAPS30	233_23	Condition:Sepsis	Age=32; Gender=M; Race=African-American; RAW_FILE_NAME=233.23
SUBJECT_SAMPLE_FACTORS           	HAPS31	233_40	Condition:Sepsis	Age=49; Gender=M; Race=Caucasian; RAW_FILE_NAME=233.40
#COLLECTION
CO:COLLECTION_SUMMARY            	WB samples (12 mL each) were collected by direct venipuncture or from an
CO:COLLECTION_SUMMARY            	indwelling line into K2 EDTA-containing tubes. Platelets were then isolated.
CO:COLLECTION_SUMMARY            	centrifuged (200x gfor 6 min at room temperature).The platelet-rich plasma layer
CO:COLLECTION_SUMMARY            	was transferred to another tube and centrifuged (4500x gfor 5 minat 4C) to
CO:COLLECTION_SUMMARY            	pellet the platelets.The nearly cell-free plasma layer was transferred to a new
CO:COLLECTION_SUMMARY            	tube, leaving approximately 0.25 mL of plasma in the original tube. Remaining
CO:COLLECTION_SUMMARY            	plasma was used to resuspend the platelet pellet to produce ultra-rich plasma.
CO:SAMPLE_TYPE                   	Platelets
CO:COLLECTION_METHOD             	direct venipuncture or indwelling line
CO:COLLECTION_FREQUENCY          	once
CO:VOLUMEORAMOUNT_COLLECTED      	12mL
CO:STORAGE_CONDITIONS            	Described in summary
CO:COLLECTION_VIALS              	K2 EDTA-containing Vacutainer tubes (BD 134367863; Becton-Dickinson, Franklin
CO:COLLECTION_VIALS              	Lakes, NJ USA)
CO:ADDITIVES                     	K2 EDTA
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment. Sepsis and non-sepsis controls had platelets isolated.
TR:TREATMENT_SUMMARY             	Mitochondrial function was measured via mitochondrial oxygen consumption (mOCR)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Methanol chlorform extraction of platelet pellet after 2 freeze-thaw cycles in
SP:SAMPLEPREP_SUMMARY            	the presence of methanol.
SP:SAMPLEPREP_PROTOCOL_ID        	Platelet Pellet MeOHCHCl3 Extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	233.2.1_-_HAPS_Platelet_Pellet_MeOHCHCl3_Extraction
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	Methanol chloroform extraction
SP:EXTRACT_ENRICHMENT            	Lyophilization
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	500uL 50mM sodium phosphate buffer in D2O
SP:SAMPLE_SPIKING                	4.99 mM DSS internal standard
#ANALYSIS
AN:DATA_FORMAT                   	.fid
#NMR
NM:INSTRUMENT_NAME               	Bruker 18.8 Tesla (800 MHz) NMR spectrometer ascend
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:NMR_COMMENTS                  	Arrayed for water saturation frequency and 90deg. pulse width for each sample
NM:STANDARD_CONCENTRATION        	10% (~0.5mM)
NM:SPECTROMETER_FREQUENCY        	800 MHz
NM:NMR_PROBE                     	Triple resonance inverse detection TCI cryoprobe
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	5mm
NM:SHIMMING_METHOD               	Auto shim (gradient shimming)
NM:PULSE_SEQUENCE                	noesygppr1d
NM:WATER_SUPPRESSION             	saturation at 80 Hz induced field strength
NM:PULSE_WIDTH                   	5.5ms
NM:OFFSET_FREQUENCY              	around -178Hz
NM:PRESATURATION_POWER_LEVEL     	80db
NM:CHEMICAL_SHIFT_REF_CPD        	DSS-d6
NM:TEMPERATURE                   	25
NM:NUMBER_OF_SCANS               	128
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	μM
NMR_METABOLITE_DATA_START
Samples	233_01	233_02	233_03	233_04	233_05	233_06	233_07	233_08	233_09	233_10	233_11	233_12	233_13	233_14	233_15	233_16	233_17	233_18	233_19	233_20	233_21	233_22	233_23	233_24	233_25	233_26	233_27	233_28	233_29	233_30	233_31	233_32	233_33	233_34	233_35	233_37	233_38	233_39	233_40
Factors	Condition:Control	Condition:Control	Condition:Sepsis	Condition:Sepsis	Condition:Control	Condition:Control	Condition:Control	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Control	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Control	Condition:Control	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Sepsis	Condition:Control	Condition:Sepsis	Condition:Sepsis	Condition:Control	Condition:Control	Condition:Control	Condition:Control	Condition:Sepsis	Condition:Control	Condition:Sepsis
ADP	37.2	42.1	16.7	46.6	33.8	32	43.7	37	27.8	15.4	42.6	42.7	48.5	32.6	20.7	16.9	29.8	51.9	26.2	48.8	41	24.8	35.9	14.2	15.9	ND	49.8	20.8	17.4	41.8	82.8	10	62.9	18.7	51.2	56.5	11.5	19.5	31
AMP	9.5	10.1	8.1	18.6	8.3	6.2	9.1	7	4.3	5.8	8.7	9	7.6	7	5.6	6	6.1	11.9	6.4	17.1	5.6	6.7	8.3	5	5	ND	9.4	4.9	4.9	5.5	14.2	4.6	12.6	4.1	8.8	11.2		6.1	10.5
ATP	62.6	63.9	40.7	91.6	53.7	51.1	60.3	69	36.5	31.7	35.8	75.8	62.8	48.8	27.5	47.7	44.2	79.2	32.8	69.2	63	24.9	63	26.3	36.1	ND	87.8	27.8	25.6	54.1	161.1	14.3	120.8	30.1	78.8	88.3	16.8	39.6	63.8
Alanine	9.3	12.1	6.4	13.3	14.5	11.5	12.5	17	6.7	15.9	9.6	13	13	11.6	7.4	7.5	18.2	11.7	12.2	34.5	14.7	9.4	9.1	ND	14.1	ND	15.2	10.1	4.4	9.2	27.3	4.1	67	5.5	15	15.5	9	6.8	12
Carnitine	3	3.5	1.7	9	1.8	4.2	4	3.2	ND	1.8	3.6	3.3	1.9	1.6	1.2	6.3	2.9	4.1	1.9	3.1	5.1	1.3	2.6	1.2	1.9	0.6	5.6	2.8	1	3.1	8	0.7	4.6	ND	3	5.3	1.3	2.7	4.1
Choline	6.1	7.1	3.3	10.6	3.9	3.6	4.9	7	4.3	2.3	4.7	5.9	3.7	2.2	2.6	8.3	3.4	4.9	2.6	3.8	6.3	1.4	4.5	3.6	4.1	ND	6.2	4.1	1.2	3.6	15.1	1.2	5.8	ND	6.6	4.5	1.9	1.9	8.8
Creatine	2.8	2.8	2.4	42.2	3.7	3	4.8	5	5.4	4.6	3.5	2.6	3.9	ND	2.2	2.7	2.7	6.2	2.1	9.1	7.7	ND	6.2	3.9	2.2	5.3	4.1	10	2.9	2.2	16.3	2.1	5	1.6	8.7	5.1	1.7	1.3	2.6
Formate	12.9	24.1	11.8	13.5	13.3	13	17.7	12.2	11.8	14	17.8	14.8	18.2	17.7	14.3	19.6	20.2	14.5	15.5	28.4	23.4	20	26.3	19.9	29.6	34.5	12.9	18	15.6	17.8	26.2	18.2	25.7	21.6	20.8	23.2	19.8	22	14.6
GTP	14.3	21.8	11.9	23.5	15.8	15.9	14.2	18.9	7.3	7.1	16.2	18.4	15.4	11.3	ND	13.1	12.2	16.9	12.2	21.7	16.3	ND	16.6	ND	11.8	ND	21.2	ND	ND	15.4	47.7	ND	26.7	ND	19.4	16.2	ND	8	20.7
Glucose	36.1	64.9	ND	58.9	61.8	42.7	72.3	76.5	37.9	62	67.9	74.4	39.4	58.8	107.2	45.6	29.8	37.1	22	51.9	38.8	78.7	37.4	58.7	86.5	64.9	49.3	65.2	ND	ND	61.6	ND	ND	ND	46.3	59.6	ND	ND	ND
Glutamate	75.8	95.5	56.5	183.9	74.1	76.5	90.1	105	49.9	65.4	90.9	125.5	85.7	76	41	112.7	67.8	117	79.6	212.4	109.4	45.3	89.3	44	89.1	ND	164.5	64.9	47.5	84.4	284.4	27.3	212.6	34.1	82	94.7	51.1	50.9	147.9
Glutamine	ND	ND	26.3	46.1	27.9	23.6	28.9	41.1	10.7	17.4	36.8	28.7	59.7	29.1	16.9	32.3	16.2	40.5	21.6	110.7	45.7	ND	26.8	ND	26.9	ND	48.4	28.6	26.9	29.4	94.7	ND	60.5	ND	33.1	26.1	ND	ND	43.5
Glycine	7.9	10.5	8.9	18.2	8	9.7	11.9	12.3	4.8	8	12.5	14.8	11.3	8.1	4.9	7.9	12.1	14.6	8.6	29.5	13	5.5	12	4.9	7.1	5.6	10.9	7.8	4.2	8.4	67.9	ND	22.4	ND	17.1	16.4	5.3	6.7	23.1
Lactate	53.3	67.6	30.6	219.6	61.9	67.1	93.9	149.7	32.3	101.2	61.2	86.6	97.1	41.1	69.8	39.1	37.3	67.4	44.9	87.5	66.1	43.6	71.8	19.3	80.3	14.5	164	61.6	23.5	47.2	215.5	32.1	119.7	27.4	68.9	116.9	51.4	24.3	65.6
O-Acetylcholine	5.2	7.2	2.9	3.5	4.1	2.8	4.4	3.3	3.8	3.1	2.9	4	2.9	3.3	1.8	1.6	5.9	6.5	1.9	4.3	4.5	1.7	3.5	2.9	3.4	0.4	6	2	2.1	2.1	12.9	1	7.1	ND	3.8	3.6	1.6	2.1	4.3
O-Phosphocholine	10.2	13.3	5.2	16.7	9.9	6.3	9.5	9	11.3	6.4	7.5	13.9	8	6.6	4.3	5.9	9.6	15.7	5.3	18.8	12.1	3.8	9.7	10.5	6.6	1.1	10.4	5.2	4	6.7	27.7	2.2	16.4	ND	8.2	13.5	4.1	4.4	15
O-Phosphoethanolamine	54.5	55.8	37	102.6	48	56.1	52.4	58.8	32	28.5	52	68.4	44.7	39.3	28	35.5	42.3	76.2	38.2	121	60.3	26.4	52	20	41.3	12.1	118.8	36.7	21.3	47.8	162.9	13.6	118.9	ND	72.9	70.5	22.8	28.9	67.9
Taurine	578.1	709.7	449.9	965.4	578.5	563.6	718	717.5	398.9	380.1	548.6	643.3	443.2	476.3	242	510.8	411.8	853.3	389.8	950.3	596.9	241.2	564.6	207.3	432.3	47.2	981.2	310	298.8	460.2	1755	142.2	883.3	189	794.1	722.7	279.4	318.7	674.6
myo-Inositol	22.8	27.8	15	60.2	22.2	23	25.8	45.7	16.2	18.2	16.1	42.3	17	14.3	16.3	50.5	20.2	24.2	36.6	57.9	38.6	25	33.8	10	27.7	ND	58.9	42.5	14	17.6	107.8	9.7	52.6	14.9	40.2	51.9	28.3	15.7	62.5
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID
ADP	C00008
AMP	C00020
ATP	C00002
Alanine	C00041
Carnitine	C00318
Choline	C00114
Creatine	C00300
Formate	C00058
GTP	C00044
Glucose	 C00221
Glutamate	C00025
Glutamine	C00064
Glycine	C00037
Lactate	C00186
O-Acetylcholine	C01996
O-Phosphocholine	C00588
O-Phosphoethanolamine	C00346
Taurine	C00245
myo-Inositol	C00137
METABOLITES_END
#END