#METABOLOMICS WORKBENCH michaelsa93_20180524_133831_mwtab.txt DATATRACK_ID:1407 STUDY_ID:ST000977 ANALYSIS_ID:AN001598 PROJECT_ID:PR000667
VERSION             	1
CREATED_ON             	May 30, 2018, 12:46 pm
#PROJECT
PR:PROJECT_TITLE                 	Identification of unique metabolite networks between Latino and Caucasian
PR:PROJECT_TITLE                 	patients with nonalcoholic fatty liver disease (NAFLD)
PR:PROJECT_SUMMARY               	Nonalcoholic fatty liver disease (NAFLD) is a spectrum of liver pathology
PR:PROJECT_SUMMARY               	ranging from simple steatosis to nonalcoholic steatohepatitis (NASH); the latter
PR:PROJECT_SUMMARY               	is characterized by inflammation and fibrosis. Risk factors for NALFD include
PR:PROJECT_SUMMARY               	obesity, diabetes, hyperlipidemia, and hypertension—all of which are features
PR:PROJECT_SUMMARY               	of metabolic syndrome. NAFLD is a very heterogeneous disease, as it presents in
PR:PROJECT_SUMMARY               	different patterns in males and females and in patients from different
PR:PROJECT_SUMMARY               	ethnicities, with unclear predictors for development and severity of disease.
PR:PROJECT_SUMMARY               	Previous studies have shown that NAFLD is 1.4 times more frequent in Hispanics
PR:PROJECT_SUMMARY               	than in Caucasians. One of the major challenges in NAFLD is the lack of
PR:PROJECT_SUMMARY               	accurate, noninvasive biomarkers for the detection of the most aggressive
PR:PROJECT_SUMMARY               	presentation, NASH. The gold standard for the diagnosis is liver biopsy, which
PR:PROJECT_SUMMARY               	is an invasive procedure associated with possible complications. Noninvasive
PR:PROJECT_SUMMARY               	diagnosis of NASH is a major unmet medical need and there are no
PR:PROJECT_SUMMARY               	ethnicity-specific biomarkers that can diagnose this condition and predict its
PR:PROJECT_SUMMARY               	progression. Therefore, the main gap in knowledge that this proposal and line of
PR:PROJECT_SUMMARY               	research will address is the characterizing the different plasma and liver
PR:PROJECT_SUMMARY               	metabolomics profile of patients with fatty liver from two ethnicities (Latinos
PR:PROJECT_SUMMARY               	vs. Caucasians) and of both sexes. The overall hypothesis of the present study
PR:PROJECT_SUMMARY               	is that the higher incidence of nonalcoholic fatty liver (NAFL) in Latino
PR:PROJECT_SUMMARY               	patients is reflected in a different plasma and liver metabolomics profile
PR:PROJECT_SUMMARY               	compared to Caucasian patients with further sex-related differences.
PR:PROJECT_SUMMARY               	Characterization of metabolite networks can aid in identifying the mechanistic
PR:PROJECT_SUMMARY               	underpinnings of sex and ethnic driven differences in NAFL which could help
PR:PROJECT_SUMMARY               	diagnose and establish a prognosis of this condition, especially in the critical
PR:PROJECT_SUMMARY               	transition from NAFL to the more aggressive nonalcoholic steatohepatitis
PR:PROJECT_SUMMARY               	(NASH).To address this hypothesis, plasma metabolomics profile of samples from
PR:PROJECT_SUMMARY               	male and female Latino and Caucasian bariatric surgery patients with NAFL and
PR:PROJECT_SUMMARY               	from healthy subjects will be compared. Metabolomics findings will be related
PR:PROJECT_SUMMARY               	with liver pathology and liver transcriptome profiles from intraoperatively
PR:PROJECT_SUMMARY               	obtained liver biopsies using correlation, network, and pathway analysis.
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Department of Internal Medicine, Division of Gastroenterology and Hepatology
PR:LABORATORY                    	Medici Lab
PR:LAST_NAME                     	Medici
PR:FIRST_NAME                    	Valentina
PR:ADDRESS                       	GI and Hepatology Division Academic Office - 4150 V Street - PSSB Suite 3500 -
PR:ADDRESS                       	95817 Sacramento CA
PR:EMAIL                         	vmedici@ucdavis.edu
PR:PHONE                         	(916) 734 3751
#STUDY
ST:STUDY_TITLE                   	Identification of unique metabolite networks between Latino and Caucasian
ST:STUDY_TITLE                   	patients with nonalcoholic fatty liver disease (NAFLD)
ST:STUDY_TYPE                    	Populations comparison
ST:STUDY_SUMMARY                 	Nonalcoholic fatty liver disease (NAFLD) is a spectrum of liver pathology
ST:STUDY_SUMMARY                 	ranging from simple steatosis to nonalcoholic steatohepatitis (NASH); the latter
ST:STUDY_SUMMARY                 	is characterized by inflammation and fibrosis. Risk factors for NALFD include
ST:STUDY_SUMMARY                 	obesity, diabetes, hyperlipidemia, and hypertension—all of which are features
ST:STUDY_SUMMARY                 	of metabolic syndrome. NAFLD is a very heterogeneous disease, as it presents in
ST:STUDY_SUMMARY                 	different patterns in males and females and in patients from different
ST:STUDY_SUMMARY                 	ethnicities, with unclear predictors for development and severity of disease.
ST:STUDY_SUMMARY                 	Previous studies have shown that NAFLD is 1.4 times more frequent in Hispanics
ST:STUDY_SUMMARY                 	than in Caucasians. One of the major challenges in NAFLD is the lack of
ST:STUDY_SUMMARY                 	accurate, noninvasive biomarkers for the detection of the most aggressive
ST:STUDY_SUMMARY                 	presentation, NASH. The gold standard for the diagnosis is liver biopsy, which
ST:STUDY_SUMMARY                 	is an invasive procedure associated with possible complications. Noninvasive
ST:STUDY_SUMMARY                 	diagnosis of NASH is a major unmet medical need and there are no
ST:STUDY_SUMMARY                 	ethnicity-specific biomarkers that can diagnose this condition and predict its
ST:STUDY_SUMMARY                 	progression. Therefore, the main gap in knowledge that this proposal and line of
ST:STUDY_SUMMARY                 	research will address is the characterizing the different plasma and liver
ST:STUDY_SUMMARY                 	metabolomics profile of patients with fatty liver from two ethnicities (Latinos
ST:STUDY_SUMMARY                 	vs. Caucasians) and of both sexes. The overall hypothesis of the present study
ST:STUDY_SUMMARY                 	is that the higher incidence of nonalcoholic fatty liver (NAFL) in Latino
ST:STUDY_SUMMARY                 	patients is reflected in a different plasma and liver metabolomics profile
ST:STUDY_SUMMARY                 	compared to Caucasian patients with further sex-related differences.
ST:STUDY_SUMMARY                 	Characterization of metabolite networks can aid in identifying the mechanistic
ST:STUDY_SUMMARY                 	underpinnings of sex and ethnic driven differences in NAFL which could help
ST:STUDY_SUMMARY                 	diagnose and establish a prognosis of this condition, especially in the critical
ST:STUDY_SUMMARY                 	transition from NAFL to the more aggressive nonalcoholic steatohepatitis
ST:STUDY_SUMMARY                 	(NASH).To address this hypothesis, plasma metabolomics profile of samples from
ST:STUDY_SUMMARY                 	male and female Latino and Caucasian bariatric surgery patients with NAFL and
ST:STUDY_SUMMARY                 	from healthy subjects will be compared. Metabolomics findings will be related
ST:STUDY_SUMMARY                 	with liver pathology and liver transcriptome profiles from intraoperatively
ST:STUDY_SUMMARY                 	obtained liver biopsies using correlation, network, and pathway analysis.
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis,
ST:ADDRESS                       	CA 95616
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:NUM_GROUPS                    	8
ST:TOTAL_SUBJECTS                	40
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	23-73
SU:GENDER                        	Male and female
SU:HUMAN_RACE                    	Hispanic and Caucasian
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	HC117	RB14 A04	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Age=47; BMI=21
SUBJECT_SAMPLE_FACTORS           	175	RB14 A05	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=50; BMI=21.89684164
SUBJECT_SAMPLE_FACTORS           	2	RB14 A06	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=47; BMI=28.58766228
SUBJECT_SAMPLE_FACTORS           	P-0788	RB14 A07	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Age=63; BMI=39.32677469
SUBJECT_SAMPLE_FACTORS           	236	RB14 A08	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=26; BMI=23.95185084
SUBJECT_SAMPLE_FACTORS           	HC128	RB14 A09	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=34; BMI=24.6
SUBJECT_SAMPLE_FACTORS           	P-3008	RB14 B04	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=48; BMI=44.6
SUBJECT_SAMPLE_FACTORS           	P-3242	RB14 B05	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Age=58; BMI=46.1
SUBJECT_SAMPLE_FACTORS           	10	RB14 B07	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=30; BMI=29.83539095
SUBJECT_SAMPLE_FACTORS           	P-0432	RB14 B08	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Age=73; BMI=33.9
SUBJECT_SAMPLE_FACTORS           	204	RB14 C04	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=34; BMI=26.95422715
SUBJECT_SAMPLE_FACTORS           	HC126	RB14 C05	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Age=27; BMI=23.5
SUBJECT_SAMPLE_FACTORS           	K10	RB14 C06	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Age=52; BMI=23.7953599
SUBJECT_SAMPLE_FACTORS           	80	RB14 C07	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=59; BMI=24.50867527
SUBJECT_SAMPLE_FACTORS           	110	RB14 C08	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=28; BMI=25.62751948
SUBJECT_SAMPLE_FACTORS           	P-3011	RB14 D04	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Age=54; BMI=39.7
SUBJECT_SAMPLE_FACTORS           	P-3266	RB14 D05	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Age=68; BMI=37.9
SUBJECT_SAMPLE_FACTORS           	P-0320	RB14 D06	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=63; BMI=48.6
SUBJECT_SAMPLE_FACTORS           	P-0185	RB14 D07	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Age=26; BMI=43.8
SUBJECT_SAMPLE_FACTORS           	P-1006	RB14 D08	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Age=47; BMI=44.7
SUBJECT_SAMPLE_FACTORS           	M2	RB14 E04	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Age=45; BMI=30.5
SUBJECT_SAMPLE_FACTORS           	HC105	RB14 E05	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Age=45; BMI=25.8
SUBJECT_SAMPLE_FACTORS           	316	RB14 E06	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=57; BMI=26.18906449
SUBJECT_SAMPLE_FACTORS           	HC121	RB14 E07	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Age=26; BMI=23.5
SUBJECT_SAMPLE_FACTORS           	HC127	RB14 E08	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=53; BMI=24
SUBJECT_SAMPLE_FACTORS           	P-0361	RB14 F03	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Age=46; BMI=45.03570678
SUBJECT_SAMPLE_FACTORS           	P-3227	RB14 F04	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Age=41; BMI=42.4
SUBJECT_SAMPLE_FACTORS           	P-1010	RB14 F05	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=67; BMI=58.7
SUBJECT_SAMPLE_FACTORS           	197	RB14 F06	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=24; BMI=28.55917998
SUBJECT_SAMPLE_FACTORS           	P-3182	RB14 F08	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Age=24; BMI=58.2
SUBJECT_SAMPLE_FACTORS           	HC122	RB14 G03	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Age=59; BMI=24.6
SUBJECT_SAMPLE_FACTORS           	343	RB14 G04	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=40; BMI=26.49568617
SUBJECT_SAMPLE_FACTORS           	389	RB14 G05	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Age=52; BMI=26.25958475
SUBJECT_SAMPLE_FACTORS           	P-3194	RB14 G06	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Age=52; BMI=36.7
SUBJECT_SAMPLE_FACTORS           	151	RB14 G08	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Age=59; BMI=22.35484699
SUBJECT_SAMPLE_FACTORS           	P-0796	RB14 H03	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=30; BMI=44.42627219
SUBJECT_SAMPLE_FACTORS           	P-3043	RB14 H05	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=50; BMI=44.4
SUBJECT_SAMPLE_FACTORS           	26	RB14 H06	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Age=66; BMI=28.15362518
SUBJECT_SAMPLE_FACTORS           	P-2546	RB14 H07	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=35; BMI=52.9
SUBJECT_SAMPLE_FACTORS           	P-3200	RB14 H08	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Age=23; BMI=40.5
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was collected as a part of a routine/pre-operation check up, not more than
CO:COLLECTION_SUMMARY            	2 weeks prior to operation day (bariatric surgery) for the NAFLD group and among
CO:COLLECTION_SUMMARY            	normal BMI healthy volunteers for the control group. All volunteers were fasted
CO:COLLECTION_SUMMARY            	10-12 hours before collection.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:COLLECTION_METHOD             	Venipuncture
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	EDTA Vacutainer tubes
CO:COLLECTION_TUBE_TEMP          	Ambient
CO:ADDITIVES                     	EDTA
#TREATMENT
TR:TREATMENT_SUMMARY             	Subjects were divided into two groups either: Healthy control or Nonalcoholic
TR:TREATMENT_SUMMARY             	fatty liver disease (NAFLD)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After sample randomization, 50 µl plasma aliquots were enriched with deuterated
SP:SAMPLEPREP_SUMMARY            	surrogates in 10 µL methanol (Table S1 from Agrawal, K., L.A. Hassoun, N.
SP:SAMPLEPREP_SUMMARY            	Foolad, T.L. Pedersen, R.K. Sivamani, J.W. Newman. 2017. Sweat lipid mediator
SP:SAMPLEPREP_SUMMARY            	profiling: a non-invasive approach for cutaneous research. J. Lipid Res.
SP:SAMPLEPREP_SUMMARY            	58:188–195 [EPub: Nov 7, 2016]. doi: 10.1194/jlr.M071738) and 5 μl of
SP:SAMPLEPREP_SUMMARY            	BHT/EDTA in 1:1 methanol/water (v/v). A total of 200 μl 1-cyclohexyl uredio,
SP:SAMPLEPREP_SUMMARY            	3-dodecanoic acid / 1-phenyl ureido, 3-hexanoic acid (CUDA / PUHA) in 1:1
SP:SAMPLEPREP_SUMMARY            	methanol:acetonitrile was added. Protein precipitate and debris were removed by
SP:SAMPLEPREP_SUMMARY            	centrifugation for 10 min at 4,500 RCF. The supernatant was filtered by
SP:SAMPLEPREP_SUMMARY            	centrifugation through 0.2 µm PVDF membranes (Agilent Technologies, Santa
SP:SAMPLEPREP_SUMMARY            	Clara, CA, USA) at 500 RCF for 5 min.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	V_Medici_Plasma_Oxy-EC_analysis_protocol.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (150 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	See protocol/methods file
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	60 °C
CH:SOLVENT_A                     	0.1% acetic acid
CH:SOLVENT_B                     	90% ACN / 10% IPA
CH:INTERNAL_STANDARD             	See protocol/methods file
CH:RETENTION_TIME                	See protocol/methods file
CH:SAMPLE_INJECTION              	5 µL
CH:ANALYTICAL_TIME               	20 min
CH:WEAK_WASH_SOLVENT_NAME        	20% methanol, 10% isopropanol
CH:WEAK_WASH_VOLUME              	600 µL
CH:STRONG_WASH_SOLVENT_NAME      	50:50 Acetonitrile:Methanol
CH:STRONG_WASH_VOLUME            	600 µL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Concentration (pmol/gram)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Concentration (pmol/gram)
MS_METABOLITE_DATA_START
Samples	RB14 A06	RB14 B07	RB14 H06	RB14 C07	RB14 C08	RB14 G08	RB14 A05	RB14 F06	RB14 C04	RB14 A08	RB14 E06	RB14 G04	RB14 E05	RB14 A04	RB14 E07	RB14 G03	RB14 C05	RB14 E08	RB14 A09	RB14 C06	RB14 G05	RB14 E04	RB14 D07	RB14 D06	RB14 F03	RB14 B08	RB14 A07	RB14 H03	RB14 D08	RB14 F05	RB14 H07	RB14 B04	RB14 D04	RB14 H05	RB14 F08	RB14 G06	RB14 H08	RB14 F04	RB14 B05	RB14 D05
Factors	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Male | Group:Healthy Control	Ethnicity:Hispanic | Gender:Female | Group:Healthy Control	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Ethnicity:Caucasian | Gender:Female | Group:Healthy Control	Ethnicity:Caucasian | Gender:Male | Group:Healthy Control	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Caucasian | Gender:Male | Group:NAFLD	Ethnicity:Caucasian | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Female | Group:NAFLD	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Ethnicity:Hispanic | Gender:Male | Group:NAFLD	Ethnicity:Caucasian | Gender:Male | Group:NAFLD
TXB2	0.393	0.295	0.218	0.251	0.33	0.351	0.305	0.261	0.339	0.219	0.396	0.391	0.298	0.283	0.338	0.344	0.462	0.394	0.52	76.3	0.3	81.1	0.375	0.377	7.63	0.358	0.275	0.848	0.394	1.88	0.266	0.38	0.465	0.402	0.775	1.84	0.385	0.403	0.72	0.647
PGE1		0.00819	0.00143	0.0242			0.00386		0.00575		0.00351	0.0157	0.0175	0.00278		0.0473		0.0156		0.0123		0.00937	0.00108		0.0787		0.00759	0.035							0.00711	0.00922		0.026	0.0106	0.000546
PGE2	0.0508	0.0528	0.0555	0.0334		0.0655	0.0623	0.119	0.0453	0.046	0.0736	0.0521	0.114	0.0444	0.0807	0.0484	0.0736	0.0651	0.0311	1.17	1.2	1.28	0.124	0.0318	0.112	0.124	0.0521	0.197	0.13	0.086	0.0428	0.0452	0.0737		0.0902	0.133	0.108	0.104	0.074	0.0972
PGF2a	1.36	2.73	3.18	1.58	3.91	10.6	4.7	0.931	5.01	0.205	2.47	0.309	1.21	6.31		0.351		5.61	5.46	6.49	4.33	18.6	0.943	0.329	1.27	1.81	5.55	3.51	0.358	1.19	0.968	0.592	2.28	0.215		2.06		4.26	11.4	6.12
F2 IsoP	1.64	2.16	0.63	0.89	0.02	2.6	0.49	1.409	1.38	1.605	0.5	2.241	1.61	1.02	1.42	0.799	3.47	0.97	2.87	0.06	2.33		0.407	1.531	2.02	1.74	2.33	5.11	1.332	1.84	1.282	0.578	1.29	1.985	0.56	2.01	0.993	1.24	6.1	1.95
15-Keto PGE2	1.31	0.362	0.683	0.624	0.702	0.519	0.259		0.694	0.413			0.302	0.397	0.168	0.719	0.218		0.625		0.537		0.633	0.743	0.693	0.438		0.959	0.572	0.733	0.204	0.749	0.545	0.514	1.08		0.261	0.298	0.979	0.523
PGF2a EA		0.0791		0.0684			0.0225			0.0398	0.073	0.128						0.0313			0.0186		0.0562	0.0969	0.00619	0.139		0.0211			0.146		0.314	0.0535	0.141	0.224		0.0685	0.0607	0.0531
Sum-TriHOME	0.553	0.407	0.609	0.272	0.287	0.028	0.239	0.515	0.596	0.164	0.51	10.8	9.31	4.24	2.62	3.91	2.86	3.88	2.92	2.36	1.17	2.79	7.8	6.11	4.96	7.15	4.21	3.44	3.1	2.83	9.16	13.6	13.7	6.58	3.39	12.1	2.1	3.1	4.89	3.82
Resolvin E1	0.00538	0.00589	0.0137	0.00539		0.0207	0.00325	0.0291	0.0144	0.00147	0.0104	0.00534	0.00843	0.0117	0.00589	0.00814	0.0481	0.0177	0.0085	0.00773	0.00655	0.0253	0.0046	0.00767	0.00534	0.00338	0.00546	0.00781	0.00561	0.00389	0.00899	0.00959	0.00427	0.0094	0.00127	0.00613		0.00812	0.0199	0.0146
5_15-DiHETE	0.00949				0.00219		0.0475	0.0299	0.136			0.105		0.0653		0.0926	0.0485	0.0477	0.0186	0.0592	0.0483		0.0523	0.0965	0.102	0.00421		0.233		0.0632		0.00456	0.0988	0.0071	0.0131	0.00295		0.0667	0.149	
9_10-e-DiHO	0.893	1.58	1.02	1.78	1.06	1.12	1.79	0.829	2.09	2.63	2.86	0.921	23.8	0.947	2.18	1.77	1.72	2.43	3.68	34.5	2.31	23.7	5.79	2.14	3.69	4.57	7.6	5.91	1.33	2.72	2.93	4.53	3.92	9.12	4.64	4.77	2.74	1.91	2.71	0.996
12_13-DiHOME	1.03	1.97	0.964	2.07	2.18	1.56	2.98	1.33	5.25	2.49	1.92	5.38	1.94	1.93	1.37	2.12	1.48	1.59	3.2	3.1	3.34	2.58	4.75	2.29	2.33	9.42	12.7	5.26	1.4	2.97	2.21	6.65	7.76	31.4	4.02	2.61	3.47	3.16	1.27	1.42
9_10-DiHOME	3	1.64	0.905	2.29	2.34	2.04	4.54	1.17	6.12	2.5	1.97	4.32	1.48	1.91	1.27	2.35	1.87	1.67	3.02	1.23	3.85	0.577	7.99	2.28	1.89	9.59	13.3	3.01	1.23	2.31	1.97	4.64	9.56	56.7	3.61	2.69	2.81	3.67	1.36	0.857
15_16-DiHODE	3.07	5.72	3.03	10	10.1	5.4	16.5	16.9	17.4	10.1	5.65	14.5	3.45	6.28	2.59	6.66	4.87	6.41	10.9	3.35	8.49	13.1	14.5	7.96	6.85	28.1	26	6.97	4.28	4.45	7.17	13.6	29.3	50	9.13	5.45	8.91	5.8	1.86	14.4
12_13-DiHODE		0.0617		0.0584	0.136	0.0921	0.145	0.0896	0.242	0.183	0.0413	0.201	0.0503	0.0874		0.117		0.0149	0.21		0.172	0.146	0.511	0.0624	0.101	0.646	0.566	0.291	0.0422	0.0637	0.174	0.599	0.439	0.909	0.186	0.0577	0.208	0.304	0.00143	
9_10-DiHODE		0.117	0.0302	0.0609	0.179	0.112	0.146	0.102	0.458	0.179	0.0532	0.17	0.0814	0.0761	0.0479	0.221	0.0672	0.0594	0.252	0.0288	0.203	0.0582	1.08	0.133	0.147	0.71	1.47	0.323	0.0892	0.0766	0.0832	0.308	0.518	3.84	0.207	0.145	0.141	0.475	0.0985	0.0585
14_15-DiHETrE	0.372	0.513	0.618	0.846	0.679	0.559	0.742	0.631	0.506	0.481	0.786	1.18	0.86	0.395	0.511	0.469	0.743	0.71	0.875	0.264	0.509	0.383	1.06	0.685	1.07	0.936	0.765	0.966	0.441	0.602	0.629	0.85	0.729	0.583	1.01	1.2	0.649	0.634	0.611	0.687
11_12-DiHETrE	0.361	0.367	0.464	0.645	0.467	0.46	0.586	0.37	0.592	0.328	0.799	0.745	0.739	0.393	0.415	0.463	0.527	0.676	0.593	0.173	0.503	0.245	0.752	0.324	0.621	0.691	0.63	0.991	0.241	0.383	0.383	0.635	0.57	0.399	0.747	0.897	0.505	0.503	0.737	0.141
8_9-DiHETrE	0.301	0.261	0.313	0.449	0.352	0.268	0.325	0.551	0.421	0.234	0.553	0.555	0.572	0.322	0.314	0.157	0.416	0.202	0.429	0.324	0.277	0.345	0.544	0.197	0.534	0.454	0.479	0.788	0.225	0.15	0.442	0.345	0.3	0.352	0.23	0.615	0.19	0.493	0.393	0.571
5_6-DiHETrE	0.129	0.303	0.131	0.558	0.165	0.265	0.236	0.382	0.295	0.155	0.284	0.483	0.327	0.0272	0.357	0.261	0.407	0.394	0.279	0.513	0.328	0.317	0.327	0.214	2.81	0.377	0.475	0.505	0.232	0.267	0.327	0.316	0.223	0.206	0.285	0.555	0.195	0.548	0.409	0.256
17_18-DiHETE	0.507	4.24	3.8	3.65	2.81	8.26	3.32	4.97	4.28	1.24	2.8	8.5	6.35	3.31	1.33	3.06	3.99	7.67	12.2	1.88	12.5	6.8	3.12	2.41	17.2	4.6	13.3	3.87	1.6	2.07	2.94	3.67	4.86	3.52	3.21	5.93	1.08	3.73	3.73	5.33
14_15-DiHETE		0.346	0.477	0.799	0.757	0.806	0.496	0.581	0.246	0.392	0.367	0.86	1.12	0.938	0.295	0.766	0.718	0.0248	1.02	0.553	0.785	0.537	0.38	0.155	2.62	0.664	2.27	0.93	0.256	0.263	0.385	0.643	0.552	0.615	0.783	0.595	0.353	0.952	0.602	0.558
19_20-DiHDoPA	0.805	0.609	1.39	1.33	1.22	1.91	1.5	0.738	1.06	1.08	1.53	2.41	2.11	0.788	0.78	0.527	1.14	2.32	4.77	0.514	2.01	0.604	1.37	0.634	0.866	2.27	1.13	1.09	0.537	0.698	0.76	0.543	1.02	0.866	0.737	3.87	0.499	1.2	1.42	0.959
13-HODE	8.15	7.34	6.69	16.9	11.1	9.58	15.9	12.2	11.1	9.13	11.5	6.94	8.13	7.56	6.52	7.55	7.15	9.41	18.4	22.7	14.4	18.3	15	18.7	18.9	34.2	30.7	18.3	9.24	19.5	12.6	25.2	34.4	155	19.6	13	16.3	12.7	11	7.13
9-HODE	5.81	5.41	4.32	8.25	6.68	5.27	6.62	3.63	6.33	4.97	7.63	7.91	3.44	5.38	4.59	3.66	4.24	5.21	10.8	11.1	7.19	8.42	10.7	8.79	11.7	19.9	15.9	9.47	5.55	12.6	8.52	21.5	19.3	68.1	12.8	10.7	7.83	8.86	5.84	4.83
13-HOTE	0.885	0.864	1.57	1.65	1.79	1.57	0.931	3.09	2.2	1.19	1.26	1.01	1.23	1.07	1.02	1.02	0.696	1.27	1.95	1.7	1.78	1.87	1.79	1.42	1.18	3.64	2.78	2.43	0.878	1.48	1.51	2.09	2.9	5.93	1.77	1.81	1.13	0.959	1.45	1.18
9-HOTE	0.0834	0.294	0.202	0.36	0.465	0.25	0.295	0.327	0.27	0.244	0.345	0.433	0.173	0.283	0.162	0.2	0.267	0.255	0.646	0.222	0.459	0.36	0.387	0.489	0.622	0.837	0.998	0.644	0.168	0.394	0.426	1.3	0.966	2.41	0.391	0.381	0.336	0.524	0.156	0.162
15-HETE	0.35	0.39	0.483	0.981	0.634	0.523	0.278	0.114	0.477	0.0951	0.6	0.527	0.179	0.578	0.0214	0.66	0.856	0.428	0.988	11.2	0.477	12.6	1.58	0.624	4.62	1.16	2.08	1.85	0.646	0.909	0.401	0.745	1.39	1.44	2.13	0.681	1.03	0.77	1.34	0.537
12-HETE	0.00959	0.261	0.145	0.373	0.209	0.3	0.282		0.538		0.354	0.305	0.319	0.184	0.216	0.631	0.586	0.433	0.735	813	0.68	590	1.08	0.683	35.8	0.796	6.7	0.46	0.53	0.404	0.304	0.878	0.28	0.978	1.71	1.6	0.938	1.19	0.716	1.34
9-HETE		0.0835		0.143	0.0851	0.0247	0.111	0.0718	0.207		0.185	0.133	0.0215	0.0857	0.0506	0.506	0.0724			0.553	0.156	0.0929	0.429	0.0676	1.6	0.228	0.236	0.117	0.202	0.0953	0.328	0.61		0.0727	0.188	0.222		0.0637	0.216	0.163
5-HETE	0.55	0.464	0.451	0.186	0.313	0.803	0.796	0.107	0.535	0.461	0.918	0.246	0.687	0.282	0.411	0.532	0.658	0.695	1.41	3.62	0.7	1.66	2.15	0.92	6.67	2.57	1.29	2.17	0.765	1.91	0.856	0.835	1.21	1.51	2.36	1.7	1.52	0.911	1.35	0.166
9-HEPE	0.00882	0.016	0.165	0.0594		0.0174		0.0755	0.148			0.0211				0.0798	0.11	0.137	0.0472	0.145	0.245	0.253	0.0506	0.162			0.232	0.666	0.00594	0.127	0.0531	0.231	0.275			0.135	0.0363	0.0911		
5-HEPE	0.201	0.197	0.328	0.275	0.163	0.856	0.16	0.251		0.0437	0.116	0.0751	0.12	0.147	0.037	0.306	0.0315	0.378	0.755	0.162	0.155	0.193	0.0435	0.389	0.726	0.586	0.7	0.208	0.238	0.513	0.298	0.212	0.297	0.557	0.245	0.398	0.0376	0.208	0.619	0.214
17-HDoHE	0.594	1.21	0.614	1.73	0.554	1.21	1.06	1.47	0.988	0.298	0.896	0.494	0.98	0.257	0.348	1.14	0.934	0.882	0.982	5.51	1.79	7.15	0.537		5.14	0.801	1.01	3.45	0.281	1.03	1.51	0.494	0.351	0.789	1.34	1.26	0.16	1.14	0.791	1.14
4-HDoHE	0.293	0.0166	0.224	0.496	0.118	0.194	0.177	0.0819	0.456	0.00501	0.426		0.0627		0.0841			0.194	0.163	0.41	0.0702	0.424	0.263		3.36	0.478	0.187	1.27		0.267	0.282	0.00438	0.191		0.021	0.216	0.219		0.143	
12(13)-EpOME	0.907	1.41	0.808	0.975	1.43	1.05	0.799	1.2	3.75	0.698	1.29	1.98	0.931	1.27	1.72	2.31	0.888	0.402	1.5	0.973	2.67	2.08	3.08	0.606	1.06	5.96	10.3	7.02	0.589	2.13	1.19	5.85	9.38	22.6	1.66	1.11	1.81	2.87	1.43	1.4
9(10)-EpOME	0.936	0.831	0.47	0.726	0.565	0.506	0.56	0.27	0.547	0.404	0.982	0.363	0.251	0.439	0.552	0.755	0.237	0.607	1.04	0.19	0.595	0.332	1.81	0.644	1.73	2.03	2.22	1.41	0.435	1.2	0.828	1.89	2.33	7.07	1.15	1.43	0.964	1.13	0.861	0.379
15(16)-EpODE	0.833	1.36	0.816	2.7	3.2	2.17	2.32	6.14	2.72	1.41	1.75	2.06	1.81	1.52	1.54	2.89	1.43	2.31	2.33	1.36	1.85	8.63	4.78	1.71	1.84	7.88	8.09	2.73	1.6	1.17	1.64	6.93	19.3	30.3	3.3	2.95	1.54	4.72	2.01	1.64
12(13)-EpODE	0.0247	0.0807	0.0928		0.0573	0.0522	0.00269	0.0229	0.0931	0.0919	0.149	0.139		0.0626	0.0229	0.242	0.0401	0.0213	0.105	0.0271	0.079	0.028	0.0632	0.0885	0.254	0.691	0.184	0.219			0.108	0.403	0.944	0.357	0.0206	0.197	0.0453	0.414	0.223	0.0172
9(10)-EpODE	0.00464	0.243	0.126	0.332	0.405	0.234	0.229	0.551	0.446	0.409	0.552	0.423	0.277	0.486	0.129	0.584	0.302	0.212	0.504	0.107	0.249	0.0585	0.679	0.896	0.933	0.7	0.697	0.878	0.221	0.393	0.252	0.572	0.561	1.91	0.534	0.593	0.47	0.448	0.632	0.247
14(15)-EpETrE									0.0191			0.0175				0.152						0.0969			0.854			0.439					0.0132							
11(12)-EpETrE		0.00177	0.00585					0.00741			0.0893	0.0402										0.00887			0.936	0.014	0.0292	0.436					0.0168	0.0279	0.016	0.0868			0.0554	
8(9)-EpETrE	0.159	0.181				0.326				0.336		0.131		0.189		0.488	0.0134			0.92				0.233	2.18											0.226		0.354		0.366
17(18)-EpETE	1.08	0.837	0.778	1.63	1.27	0.869	0.928	1.85	1.33	0.937	1.36	0.816	0.285	1.44	0.882	1.71	1.61	1.32	1.19	0.538	0.663	1.22	0.304		2.63	1.03	0.677	6.47	0.623	1.07		1.37	0.37	0.729	1.09	1.1	0.0329	0.94	1.99	1.03
11(12)-EpETE	0.0258		0.0428	0.0619		0.0165	0.0678	0.064	0.0455	0.0326	0.183			0.00221	0.111			0.0354	0.111	0.0335	0.027	0.044	0.0185	0.0655	0.0712		0.0636	0.198		0.138	0.0328		0.0614	0.0568	0.0218	0.0703	0.00516		0.0485	0.0135
19(20)-EpDPE			0.636			0.388		0.141				0.633		0.0248				0.00327	0.104		0.137	0.246		0.0754	0.696		0.185		1.16			0.283	0.154	0.269		0.684			0.291	
12(13)-Ep-9-KODE	2.68	2.04	0.228	1.62	4.27	1.53	7.11	1.51	2.62	2.35	0.95	5.79	0.929	1.17	1.23	0.901	1.27	0.289	1.78	0.399	1.34	0.745	4.47	1.23	2.21	1.04	1.12	2.93	0.44	5.89	1.11	0.484	1.65	1.27	0.685	0.814	2.04	0.977	2.06	1.39
13-KODE	1.08	0.739	2.08	1.84	1.6	0.653	1.11	2.03	1.75	1.67	0.371	1.12	3.29	0.775	1.11	1.67	2.36	1.16	1.72	1.96	2.43	1.99	2.07	2.63	4.6	2.2	2.53	2.91	1.53	2.12	1.38	1.56	3.46	2.69	1.28	1.93	2.01	1.55	0.929	1.32
9-KODE	2.58	1.13	2.39	2.71	0.563	1.98	1.69	2.82	2.01	1.55	0.875	2.5	2.97	2.66	2.12	3.1	4.06	2.29	3.29	3.26	3.06	5.19	3.22	2.56	8.25	3.01	4.36	6.12	2.76	2.15	1.64	2.49	3.96	5.83	3.26	4.48	1.61	3.7	1.9	2.75
5-KETE	0.0128	0.149	0.269	0.241	0.0617	0.106	0.0817	0.16	0.0843	0.0517				0.14		0.208	0.0661	0.00371		0.0845	0.296	0.0659	0.0777	0.0472	2.89	0.308		0.548	0.0556		0.237		0.192	0.122	0.0606	0.272	0.0513	0.11	0.137	0.034
10-Nitrooleate	6.19	2.45	3.36	17.1	2.75	3.57	6.5	5.62	5.28	2.54	1.78	3.88	4.89	4.73	5.66	3.62	8.11	3.32	3.67	3.46	6.36	2.94	2.29	4.16	6.25	4.7	4.51	7.57	2.02	2.45	2.81	1.5	2.79	0.495	1.26	2.07	3.45	2.08	4.56	1.81
9-Nitrooleate			0.11	0.266	0.42		0.142	0.214	0.477		1.24	0.232	0.527	0.601	0.169	1.12		0.116	0.0418		0.388	0.00855	0.386	0.0548	0.873		0.0989	4.05	0.177		0.0205	0.435	0.309	0.0744		0.299	0.0386	0.39	0.59	0.203
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID	Parent Lipid	Class	HMDB ID	InChIKey
TXB2			5283137		C20:4n6	TX	HMDB03252	XNRNNGPBEPRNAR-JQBLCGNGSA-N
PGE1			5280723	C04741	C20:3n6	PG	HMDB01442	GMVPRGQOIOIIMI-DWKJAMRDSA-N
PGE2			5280360	C00584	C20:4n6	PG	HMDB01220	XEYBRNLFEZDVAW-ARSRFYASSA-N
PGF2a			5283078		C20:4n6	PG	HMDB01139	PXGPLTODNUVGFL-UAAPODJFSA-N
F2 IsoP					C20:4n6	PG
15-Keto PGE2			5280719		C20:4n6	PG	HMDB03175	YRTJDWROBKPZNV-KMXMBPPJSA-N
PGF2a EA			53481911		PGF2a	Ethanolamide	HMDB13628	XCVCLIRZZCGEMU-FPLRWIMGSA-N
Resolvin E1			25063347		C20:5n3	Triol	HMDB10410	AOPOCGPBAIARAV-WEKRNNBPSA-N
5_15-DiHETE			5283158		C20:4n6	Diol	HMDB10216	UXGXCGPWGSUMNI-BVHTXILBSA-N
9_10-DiHODE			16061066		C18:3n3	Diol	HMDB10221	QRHSEDZBZMZPOA-ZJSQCTGTSA-N
12_13-DiHOME			10236635	C14829	C18:2n6	Diol	HMDB04705	CQSLTKIXAJTQGA-FLIBITNWSA-N
9_10-e-DiHO			441460		C18:1n9	Diol		VACHUYIREGFMSP-SJORKVTESA-N
15_16-DiHODE			16061068		C18:3n3	Diol	HMDB10208	LKLLJYJTYPVCID-OHPMOLHNSA-N
12_13-DiHODE			16061067		C18:3n3	Diol	HMDB10201	RGRKFKRAFZJQMS-OOHFSOINSA-N
9_10-DiHOME			9966640	C14828	C18:2n6	Diol	HMDB04704	XEBKSQSGNGRGDW-YFHOEESVSA-N
14_15-DiHETrE			5283147	C14775	C20:4n6	Diol	HMDB02265	SYAWGTIVOGUZMM-ILYOTBPNSA-N
11_12-DiHETrE			5283146	C14774	C20:4n6	Diol	HMDB02314	LRPPQRCHCPFBPE-KROJNAHFSA-N
8_9-DiHETrE			5283144	C14773	C20:4n6	Diol	HMDB02311	DCJBINATHQHPKO-TYAUOURKSA-N
5_6-DiHETrE			5283142	C14772	C20:4n6	Diol	HMDB02343	GFNYAPAJUNPMGH-QNEBEIHSSA-N
17_18-DiHETE			16061120		C20:5n3	Diol	HMDB10211	XYDVGNAQQFWZEF-JPURVOHMSA-N
14_15-DiHETE			16061119		C20:5n3	Diol	HMDB10204	BLWCDFIELVFRJY-QXBXTPPVSA-N
19_20-DiHDoPA			16061148		C22:6n3	Diol	HMDB10214	FFXKPSNQCPNORO-MBYQGORISA-N
13-HODE			6443013	C14762	C18:2n6	R-OH	HMDB04667	HNICUWMFWZBIFP-IRQZEAMPSA-N
9-HODE			5282945		C18:2n6	R-OH	HMDB10223	NPDSHTNEKLQQIJ-SIGMCMEVSA-N
13-HOTE			10469728		C18:3n3	R-OH	HMDB10203	KLLGGGQNRTVBSU-JDTPQGGVSA-N
9-HOTE			53480359		C18:3n3	R-OH	HMDB10224	YUPHIKSLGBATJK-OBKPXJAFSA-N
15-HETE			5280724	C04742	C20:4n6	R-OH	HMDB03876	JSFATNQSLKRBCI-VAEKSGALSA-N
12-HETE			5312983		C20:4n6	R-OH	HMDB06111	ZNHVWPKMFKADKW-FYMOKONMSA-N
9-HETE			5312978		C20:4n6	R-OH	HMDB10222	KATOYYZUTNAWSA-DLJQHUEDSA-N
5-HETE			5280733	C04805	C20:4n6	R-OH	HMDB11134	KGIJOOYOSFUGPC-JGKLHWIESA-N
9-HEPE			5283187		C20:5n3	R-OH	HMDB60053	OXOPDAZWPWFJEW-FPRWAWDYSA-N
5-HEPE			6439678		C20:5n3	R-OH	HMDB05081	FTAGQROYQYQRHF-FCWZHQICSA-N
17-HDoHE			6439179		C22:6n3	R-OH	HMDB10213	SWTYBBUBEPPYCX-VIIQGJSXSA-N
4-HDoHE			53394255		C22:6n3	R-OH	HMDB60049	IFRKCNPQVIJFAQ-JGDWKEERSA-N
Sum-TriHOME			9858729	C14833	C18:2n6	Triol	HMDB04708	MDIUMSLCYIJBQC-MVFSOIOZSA-N
12(13)-EpOME			5356421		C18:2n6	Epox	HMDB04702	CCPPLLJZDQAOHD-FLIBITNWSA-N
9(10)-EpOME			5283018		C18:2n6	Epox		FBUKMFOXMZRGRB-JXMROGBWSA-N
15(16)-EpODE			16061062		C18:3n3	Epox	HMDB10206	HKSDVVJONLXYKL-OHPMOLHNSA-N
12(13)-EpODE			16061061		C18:3n3	Epox	HMDB10200	BKKGUKSHPCTUGE-OOHFSOINSA-N
9(10)-EpODE			16061060		C18:3n3	Epox	HMDB10220	JTEGNNHWOIJBJZ-ZJSQCTGTSA-N
14(15)-EpETrE			11954058	C14813	C20:4n6	Epox	HMDB04693	WLMZMBKVRPUYIG-LTCHCNGXSA-N
11(12)-EpETrE			53480479		C20:4n6	Epox	HMDB10409	DXOYQVHGIODESM-IQCOFVSKSA-N
8(9)-EpETrE			5283203	C14769	C20:4n6	Epox	HMDB02232	DBWQSCSXHFNTMO-TYAUOURKSA-N
17(18)-EpETE			16061089		C20:5n3	Epox	HMDB10212	GPQVVJQEBXAKBJ-JPURVOHMSA-N
11(12)-EpETE			16061087		C20:5n3	Epox		QHOKDYBJJBDJGY-BVILWSOJSA-N
19(20)-EpDPE			11631565		C22:6n3	Epox	HMDB13620	OSXOPUBJJDUAOJ-MBYQGORISA-N
12(13)-Ep-9-KODE			5283007		C18:2n6	Epox,R=O	HMDB13623	RCMABBHQYMBYKV-BUHFOSPRSA-N
13-KODE			6446027	C14765	C18:2n6	R=O	HMDB04668	JHXAZBBVQSRKJR-BSZOFBHHSA-N
9-KODE			9839084	C14766	C18:2n6	R=O	HMDB04669	LUZSWWYKKLTDHU-ZJHFMPGASA-N
5-KETE			5283159	C14732	C20:4n6	R=O	HMDB10217	MEASLHGILYBXFO-XTDASVJISA-N
10-Nitrooleate			53394576		C18:1n9	Nitrolipid		WRADPCFZZWXOTI-UHFFFAOYSA-N
9-Nitrooleate			53412232		C18:1n9	Nitrolipid		CQOAKBVRRVHWKV-UHFFFAOYSA-M
METABOLITES_END
#END