#METABOLOMICS WORKBENCH mlhomme_20221213_043543 DATATRACK_ID:3642 STUDY_ID:ST002400 ANALYSIS_ID:AN003908
VERSION                          	1
CREATED_ON                       	12-16-2022
#PROJECT
PR:PROJECT_TITLE                 	Alcohol dehydrogenase 1B is crucial for adipocyte homeostasis.
PR:PROJECT_SUMMARY               	Background. Alcohol dehydrogenase (ADH1B), encoded by the ADH1B gene, is a
PR:PROJECT_SUMMARY               	cytosolic enzyme mainly known for its role in ethanol catabolism in the liver. A
PR:PROJECT_SUMMARY               	few studies have paved the way to show an equally important role of ADH1B in
PR:PROJECT_SUMMARY               	adipocytes. This study aimed to better identify the cellular mechanisms and
PR:PROJECT_SUMMARY               	signaling pathways involving ADH1B in adipose tissue and to determine if ADH1B
PR:PROJECT_SUMMARY               	variants might contribute to adipose tissue dysfunction. Results. We showed that
PR:PROJECT_SUMMARY               	CRISPR-Cas9-mediated ADH1B knockout (KO) in human adipose stem cells (ASC)
PR:PROJECT_SUMMARY               	abolished adipocyte differentiation and decreased insulin response. This was
PR:PROJECT_SUMMARY               	accompanied by oxidative stress, altered mitochondrial functions, and cellular
PR:PROJECT_SUMMARY               	senescence. Lipidomic analysis revealed that ADH1B deficiency results in a major
PR:PROJECT_SUMMARY               	remodeling of lipid composition in ASC. An ADH1B homozygous loss-of-function
PR:PROJECT_SUMMARY               	variant was also identified in a patient presenting with a lipodystrophic and
PR:PROJECT_SUMMARY               	insulin resistant syndrome associated with major liver dysfunction, leading to
PR:PROJECT_SUMMARY               	early death. Discussion. This translational study underlines the crucial role of
PR:PROJECT_SUMMARY               	ADH1B in adipose tissue. It unveils cellular mechanisms accounting for its key
PR:PROJECT_SUMMARY               	role in adipogenesis, and adipocyte homeostasis. This study also identifies
PR:PROJECT_SUMMARY               	ADH1B as a candidate gene in monogenic forms of lipodystrophic and insulin
PR:PROJECT_SUMMARY               	resistant syndromes.
PR:INSTITUTE                     	INSERM
PR:LAST_NAME                     	Gautheron
PR:FIRST_NAME                    	Jérémie
PR:ADDRESS                       	27 rue Chaligny, 75012 Paris France
PR:EMAIL                         	jeremie.gautheron@gmail.com
PR:PHONE                         	+33623398373
PR:DOI                           	http://dx.doi.org/10.21228/M8VM64
#STUDY
ST:STUDY_TITLE                   	Alcohol dehydrogenase 1B is crucial for adipocyte homeostasis
ST:STUDY_SUMMARY                 	Background. Alcohol dehydrogenase (ADH1B), encoded by the ADH1B gene, is a
ST:STUDY_SUMMARY                 	cytosolic enzyme mainly known for its role in ethanol catabolism in the liver. A
ST:STUDY_SUMMARY                 	few studies have paved the way to show an equally important role of ADH1B in
ST:STUDY_SUMMARY                 	adipocytes. This study aimed to better identify the cellular mechanisms and
ST:STUDY_SUMMARY                 	signaling pathways involving ADH1B in adipose tissue and to determine if ADH1B
ST:STUDY_SUMMARY                 	variants might contribute to adipose tissue dysfunction. Results. We showed that
ST:STUDY_SUMMARY                 	CRISPR-Cas9-mediated ADH1B knockout (KO) in human adipose stem cells (ASC)
ST:STUDY_SUMMARY                 	abolished adipocyte differentiation and decreased insulin response. This was
ST:STUDY_SUMMARY                 	accompanied by oxidative stress, altered mitochondrial functions, and cellular
ST:STUDY_SUMMARY                 	senescence. Lipidomic analysis revealed that ADH1B deficiency results in a major
ST:STUDY_SUMMARY                 	remodeling of lipid composition in ASC. An ADH1B homozygous loss-of-function
ST:STUDY_SUMMARY                 	variant was also identified in a patient presenting with a lipodystrophic and
ST:STUDY_SUMMARY                 	insulin resistant syndrome associated with major liver dysfunction, leading to
ST:STUDY_SUMMARY                 	early death. Discussion. This translational study underlines the crucial role of
ST:STUDY_SUMMARY                 	ADH1B in adipose tissue. It unveils cellular mechanisms accounting for its key
ST:STUDY_SUMMARY                 	role in adipogenesis, and adipocyte homeostasis. This study also identifies
ST:STUDY_SUMMARY                 	ADH1B as a candidate gene in monogenic forms of lipodystrophic and insulin
ST:STUDY_SUMMARY                 	resistant syndromes.
ST:INSTITUTE                     	INSERM
ST:LAST_NAME                     	Gautheron
ST:FIRST_NAME                    	Jérémie
ST:ADDRESS                       	27 rue Chaligny
ST:EMAIL                         	jeremie.gautheron@gmail.com
ST:PHONE                         	+33623398373
ST:SUBMIT_DATE                   	2022-12-13
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_01_LIP329	ADH1B_KO_01_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_01; RAW_FILE_NAME=LIP329_C18_10x_KO_01; RAW_FILE_NAME=LIP329_long_1x_KO_01; RAW_FILE_NAME=LIP329_short_1x_KO_01; RAW_FILE_NAME=LIP329_short_20x_KO_01
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_02_LIP329	ADH1B_KO_02_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_02; RAW_FILE_NAME=LIP329_C18_10x_KO_02; RAW_FILE_NAME=LIP329_long_1x_KO_02; RAW_FILE_NAME=LIP329_short_1x_KO_02; RAW_FILE_NAME=LIP329_short_20x_KO_02
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_03_LIP329	ADH1B_KO_03_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_03; RAW_FILE_NAME=LIP329_C18_10x_KO_03; RAW_FILE_NAME=LIP329_long_1x_KO_03; RAW_FILE_NAME=LIP329_short_1x_KO_03; RAW_FILE_NAME=LIP329_short_20x_KO_03
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_04_LIP329	ADH1B_KO_04_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_04; RAW_FILE_NAME=LIP329_C18_10x_KO_04; RAW_FILE_NAME=LIP329_long_1x_KO_04; RAW_FILE_NAME=LIP329_short_1x_KO_04; RAW_FILE_NAME=LIP329_short_20x_KO_04
SUBJECT_SAMPLE_FACTORS           	ADH1B_KO_05_LIP329	ADH1B_KO_05_LIP329	Genotype:ADH1B_KO	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_KO_05; RAW_FILE_NAME=LIP329_C18_10x_KO_05; RAW_FILE_NAME=LIP329_long_1x_KO_05; RAW_FILE_NAME=LIP329_short_1x_KO_05; RAW_FILE_NAME=LIP329_short_20x_KO_05
SUBJECT_SAMPLE_FACTORS           	CTL_01_LIP329	CTL_01_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_01; RAW_FILE_NAME=LIP329_C18_10x_CTL_01; RAW_FILE_NAME=LIP329_long_1x_CTL_01; RAW_FILE_NAME=LIP329_short_1x_CTL_01; RAW_FILE_NAME=LIP329_short_20x_CTL_01
SUBJECT_SAMPLE_FACTORS           	CTL_02_LIP329	CTL_02_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_02; RAW_FILE_NAME=LIP329_C18_10x_CTL_02; RAW_FILE_NAME=LIP329_long_1x_CTL_02; RAW_FILE_NAME=LIP329_short_1x_CTL_02; RAW_FILE_NAME=LIP329_short_20x_CTL_02
SUBJECT_SAMPLE_FACTORS           	CTL_03_LIP329	CTL_03_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_03; RAW_FILE_NAME=LIP329_C18_10x_CTL_03; RAW_FILE_NAME=LIP329_long_1x_CTL_03; RAW_FILE_NAME=LIP329_short_1x_CTL_03; RAW_FILE_NAME=LIP329_short_20x_CTL_03
SUBJECT_SAMPLE_FACTORS           	CTL_04_LIP329	CTL_04_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_04; RAW_FILE_NAME=LIP329_C18_10x_CTL_04; RAW_FILE_NAME=LIP329_long_1x_CTL_04; RAW_FILE_NAME=LIP329_short_1x_CTL_04; RAW_FILE_NAME=LIP329_short_20x_CTL_04
SUBJECT_SAMPLE_FACTORS           	CTL_05_LIP329	CTL_05_LIP329	Genotype:CTL	Batch=1; RAW_FILE_NAME=LIP329_C18_1x_CTL_05; RAW_FILE_NAME=LIP329_C18_10x_CTL_05; RAW_FILE_NAME=LIP329_long_1x_CTL_05; RAW_FILE_NAME=LIP329_short_1x_CTL_05; RAW_FILE_NAME=LIP329_short_20x_CTL_05
#COLLECTION
CO:COLLECTION_SUMMARY            	ASC were isolated from surgical samples of subcutaneous abdominal adipose tissue
CO:COLLECTION_SUMMARY            	from a 25-year-old healthy woman with a normal body mass index (BMI). Adipose
CO:COLLECTION_SUMMARY            	tissue was enzymatically digested with collagenase B (0.2%).
CO:SAMPLE_TYPE                   	Adipose tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	After centrifugation, stromal vascular fraction was filtered, rinsed, plated and
TR:TREATMENT_SUMMARY             	cultured in α-MEM with 10% Fetal Calf Serum (FCS), 1% GlutaMAX (#35050061,
TR:TREATMENT_SUMMARY             	Thermo Fisher Scientific), 1% Penicillin/streptomycin (PS - 10,000 UI/mL), 1%
TR:TREATMENT_SUMMARY             	HEPES and Fibroblast Growth Factor-2 (FGF-2 -145 nmol/L). After 24 h, only ASC
TR:TREATMENT_SUMMARY             	adhered to plastic surfaces, while other cells were removed after culture medium
TR:TREATMENT_SUMMARY             	replacement. ASC were maintained in an undifferentiated state in α-MEM
TR:TREATMENT_SUMMARY             	supplemented with 10 % newborn calf serum (#CA-1151500; Biosera, MI, USA), 1%
TR:TREATMENT_SUMMARY             	GlutaMAX, HEPES and P/S, and FGF-2 (145 nmol/L). Adipocyte differentiation was
TR:TREATMENT_SUMMARY             	induced by treating 2-day post-confluent cultures with high-glucose (25 mmol/L)
TR:TREATMENT_SUMMARY             	DMEM supplemented with 10 % FCS, 1 % PS, 1 µmol/L dexamethasone (#D4902;
TR:TREATMENT_SUMMARY             	Sigma-Aldrich, MI, USA), 1 µM rosiglitazone (#D4902; Sigma-Aldrich), 250 µM
TR:TREATMENT_SUMMARY             	3-isobutyl-1-methyl xanthine (IBMX) (#I7018; Sigma-Aldrich) and 0.17 µmol/L
TR:TREATMENT_SUMMARY             	insulin (#I0516; Sigma-Aldrich) for ten days. The medium was then replaced with
TR:TREATMENT_SUMMARY             	high-glucose DMEM supplemented with 10% FCS, 1 % PS, 1 µmol/L rosiglitazone and
TR:TREATMENT_SUMMARY             	0.17 µM insulin, and changed to fresh medium every 2 days until the 20th day.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction. Lipids were extracted from ASC cells according to a modified
SP:SAMPLEPREP_SUMMARY            	Folch method. Cell pellets were resuspended in 100µl methanol and supplemented
SP:SAMPLEPREP_SUMMARY            	with deuterated internal standards. Lipids were extracted with 1.5 mL chloroform
SP:SAMPLEPREP_SUMMARY            	and 650 µL methanol, sonicated for 15 min. Phase separation was triggered by
SP:SAMPLEPREP_SUMMARY            	addition of 450 µL of ammonium carbonate (250 mM). Lower organic phase was
SP:SAMPLEPREP_SUMMARY            	dried and resuspended in 200 µL of liquid chromatography – mass spectrometry
SP:SAMPLEPREP_SUMMARY            	(LC-MS) solvent.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Phenomenex Kinetex HILIC (150 x 3mm,2.6um)
CH:COLUMN_TEMPERATURE            	45
CH:FLOW_GRADIENT                 	-
CH:FLOW_RATE                     	300ul/min
CH:SOLVENT_A                     	100% water; 0.2% acetic acid; 30mM ammonium acetate
CH:SOLVENT_B                     	100% acetonitrile; 0.2% acetic acid
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 4000 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	MRM acquisition of narrow chromatographic peaks of low abundant phospho- and
MS:MS_COMMENTS                   	sphingolipid classes: cer, PG, PI, PE, PE-P This acquisition is referred to as
MS:MS_COMMENTS                   	"short_1x"
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	mol% of total lipids
MS_METABOLITE_DATA_START
Samples	ADH1B_KO_01_LIP329	ADH1B_KO_02_LIP329	ADH1B_KO_03_LIP329	ADH1B_KO_04_LIP329	ADH1B_KO_05_LIP329	CTL_01_LIP329	CTL_02_LIP329	CTL_03_LIP329	CTL_04_LIP329	CTL_05_LIP329
Factors	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:ADH1B_KO	Genotype:CTL	Genotype:CTL	Genotype:CTL	Genotype:CTL	Genotype:CTL	
Cer(d18:0/14:0)						0.0007	0.0010	0.0011	0.0008	0.0010
Cer(d18:0/16:0)	0.0094	0.0082	0.0116	0.0123	0.0141	0.0233	0.0261	0.0226	0.0262	0.0260
Cer(d18:0/18:0)	0.0016	0.0018	0.0024	0.0015	0.0018	0.0028	0.0030	0.0030	0.0033	0.0029
Cer(d18:0/18:1)			0.0019	0.0011		0.0011	0.0009	0.0011	0.0011	0.0010
Cer(d18:0/20:0)			0.0025	0.0017	0.0026	0.0030	0.0045	0.0037	0.0036	0.0030
Cer(d18:0/22:0)	0.0032	0.0034	0.0044	0.0042	0.0056	0.0089	0.0091	0.0073	0.0072	0.0067
Cer(d18:0/23:0)			0.0007	0.0012	0.0013	0.0012	0.0011	0.0018	0.0014	0.0015
Cer(d18:0/24:0)	0.0027	0.0019	0.0037	0.0028	0.0042	0.0067	0.0056	0.0052	0.0059	0.0045
Cer(d18:0/24:1)	0.0038	0.0037	0.0041	0.0062	0.0056	0.0115	0.0132	0.0124	0.0135	0.0135
Cer(d18:0/24:2)	0.0003	0.0003	0.0005	0.0004	0.0005	0.0011	0.0010	0.0011	0.0009	0.0011
Cer(d18:0/24:3)	0.0002	0.0003	0.0003	0.0002	0.0004	0.0004	0.0006	0.0005	0.0006	0.0005
Cer(d18:0/25:0)	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001
Cer(d18:0/25:1)	0.0017	0.0022	0.0020	0.0018	0.0022	0.0050	0.0048	0.0054	0.0044	0.0048
Cer(d18:0/25:2)	0.0012	0.0020	0.0014	0.0015	0.0017	0.0036	0.0037	0.0047	0.0038	0.0043
Cer(d18:0/26:0)	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000
Cer(d18:0/26:1)	0.0000	0.0003	0.0002	0.0001	0.0001	0.0002	0.0001	0.0002	0.0002	0.0002
Cer(d18:0/26:2)	0.0001			0.0001	0.0001	0.0002	0.0003	0.0003	0.0003	0.0002
Cer(d18:1/14:0)	0.0024	0.0020	0.0020	0.0024	0.0022	0.0041	0.0040	0.0043	0.0042	0.0049
Cer(d18:1/16:0)	0.0955	0.0877	0.0905	0.0857	0.1053	0.1029	0.1056	0.1146	0.1058	0.1142
Cer(d18:1/18:0)	0.0208	0.0198	0.0224	0.0204	0.0283	0.0215	0.0233	0.0235	0.0232	0.0259
Cer(d18:1/18:1)	0.0006	0.0007	0.0006	0.0007	0.0007	0.0007	0.0007	0.0008	0.0008	0.0008
Cer(d18:1/20:0)	0.0042	0.0039	0.0048	0.0042	0.0061	0.0087	0.0087	0.0100	0.0092	0.0102
Cer(d18:1/22:0)	0.0306	0.0313	0.0351	0.0316	0.0468	0.0560	0.0565	0.0601	0.0579	0.0635
Cer(d18:1/23:0)	0.0100	0.0099	0.0116	0.0102	0.0149	0.0181	0.0182	0.0177	0.0176	0.0180
Cer(d18:1/24:0)	0.0618	0.0616	0.0702	0.0646	0.0969	0.1172	0.1136	0.1109	0.1104	0.1181
Cer(d18:1/24:1)	0.0519	0.0526	0.0598	0.0580	0.0777	0.1136	0.1155	0.1114	0.1087	0.1148
Cer(d18:1/24:2)	0.0041	0.0039	0.0047	0.0046	0.0054	0.0108	0.0109	0.0098	0.0098	0.0120
Cer(d18:1/24:3)	0.0010	0.0011	0.0011	0.0010	0.0013	0.0025	0.0027	0.0022	0.0023	0.0023
Cer(d18:1/25:0)	0.0017	0.0016	0.0020	0.0020	0.0025	0.0038	0.0035	0.0033	0.0035	0.0039
Cer(d18:1/25:1)	0.0011	0.0010	0.0013	0.0013	0.0016	0.0034	0.0031	0.0030	0.0032	0.0035
Cer(d18:1/25:2)	0.0003	0.0003	0.0004	0.0004	0.0004	0.0008	0.0008	0.0007	0.0008	0.0009
Cer(d18:1/26:0)	0.0006	0.0007	0.0007	0.0007	0.0008	0.0017	0.0014	0.0015	0.0015	0.0015
Cer(d18:1/26:1)	0.0011	0.0010	0.0012	0.0012	0.0016	0.0044	0.0043	0.0035	0.0041	0.0045
Cer(d18:1/26:2)	0.0002	0.0002	0.0003	0.0003	0.0004	0.0011	0.0012	0.0010	0.0011	0.0013
Cer(d18:2/14:0)	0.0003		0.0003	0.0003	0.0003	0.0004	0.0004	0.0004	0.0004	0.0004
Cer(d18:2/16:0)	0.0165	0.0159	0.0148	0.0178	0.0142	0.0127	0.0117	0.0126	0.0131	0.0146
Cer(d18:2/18:0)	0.0104	0.0111	0.0106	0.0118	0.0102	0.0068	0.0063	0.0078	0.0077	0.0084
Cer(d18:2/18:1)				0.0002		0.0002		0.0002	0.0002	0.0002
Cer(d18:2/20:0)	0.0016	0.0019	0.0016	0.0017	0.0018	0.0018	0.0017	0.0020	0.0019	0.0020
Cer(d18:2/21:0)	0.0003	0.0004	0.0004	0.0003	0.0004	0.0003	0.0003	0.0004	0.0003	0.0004
Cer(d18:2/22:0)	0.0120	0.0140	0.0138	0.0146	0.0142	0.0125	0.0125	0.0129	0.0133	0.0145
Cer(d18:2/23:0)	0.0035	0.0041	0.0043	0.0045	0.0045	0.0033	0.0034	0.0035	0.0036	0.0039
Cer(d18:2/23:1)	0.0013	0.0016	0.0013	0.0017	0.0015	0.0016	0.0016	0.0017	0.0017	0.0019
Cer(d18:2/24:0)	0.0252	0.0286	0.0306	0.0310	0.0347	0.0260	0.0233	0.0213	0.0236	0.0254
Cer(d18:2/24:1)	0.0212	0.0236	0.0248	0.0265	0.0250	0.0300	0.0277	0.0254	0.0272	0.0289
Cer(d18:2/24:2)	0.0015	0.0017	0.0017	0.0019	0.0020	0.0023	0.0021	0.0018	0.0020	0.0021
Cer(d18:2/24:3)	0.0004	0.0004	0.0004	0.0004	0.0004	0.0006	0.0004	0.0004	0.0005	0.0005
Cer(d18:2/25:0)	0.0007	0.0008	0.0009	0.0008	0.0010	0.0009	0.0008	0.0007	0.0008	0.0008
Cer(d18:2/25:1)	0.0007	0.0007	0.0008	0.0008	0.0008	0.0010	0.0009	0.0009	0.0009	0.0010
Cer(d18:2/25:2)	0.0002	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002
Cer(d18:2/26:0)	0.0003	0.0005	0.0005	0.0005	0.0006	0.0005	0.0005	0.0005	0.0005	0.0005
Cer(d18:2/26:1)	0.0005	0.0006	0.0006	0.0007	0.0007	0.0010	0.0011	0.0009	0.0009	0.0011
Cer(d18:2/26:2)	0.0001	0.0002	0.0001	0.0002	0.0002	0.0003	0.0003	0.0003	0.0003	0.0003
hex2Cer(d18:0/14:0)	0.0008	0.0008	0.0008	0.0007	0.0009	0.0009	0.0010	0.0009	0.0009	0.0008
hex2Cer(d18:0/16:0)	0.0007	0.0006	0.0010	0.0015	0.0008	0.0014	0.0013	0.0012	0.0013	0.0017
hex2Cer(d18:0/18:0)	0.0002	0.0003	0.0002	0.0003	0.0004	0.0003	0.0003	0.0004	0.0002	0.0005
hex2Cer(d18:0/22:0)				0.0006	0.0005	0.0010	0.0009	0.0010	0.0008	0.0013
hex2Cer(d18:1/14:0)	0.0001	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0002	0.0002	0.0003
hex2Cer(d18:1/16:0)	0.0036	0.0027	0.0035	0.0069	0.0043	0.0063	0.0048	0.0048	0.0046	0.0072
hex2Cer(d18:1/18:0)	0.0008	0.0005	0.0008	0.0013	0.0009	0.0009	0.0008	0.0009	0.0008	0.0012
hex2Cer(d18:1/20:0)	0.0001	0.0001	0.0001	0.0002	0.0002	0.0004	0.0003	0.0003	0.0003	0.0005
hex2Cer(d18:1/22:0)	0.0008	0.0007	0.0009	0.0016	0.0012	0.0022	0.0018	0.0020	0.0017	0.0028
hex2Cer(d18:1/23:0)	0.0002	0.0001	0.0002	0.0003	0.0003	0.0004	0.0004	0.0003	0.0003	0.0005
hex2Cer(d18:1/24:0)	0.0011	0.0008	0.0013	0.0021	0.0015	0.0034	0.0025	0.0027	0.0024	0.0039
hex2Cer(d18:1/24:1)	0.0008	0.0006	0.0008	0.0015	0.0011	0.0027	0.0021	0.0022	0.0020	0.0034
hex2Cer(d18:1/24:2)	0.0001	0.0001	0.0001	0.0002	0.0002	0.0004	0.0003	0.0004	0.0003	0.0005
hex2Cer(d18:1/25:0)	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002
hex2Cer(d18:1/25:1)	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0002
hex2Cer(d18:1/25:2)	0.0000	0.0000	0.0000	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0002
hex2Cer(d18:1/26:0)	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0003	0.0003	0.0002	0.0004
hex2Cer(d18:1/26:1)			0.0000	0.0000	0.0000	0.0002	0.0001	0.0001	0.0001	0.0002
hex2Cer(d18:1/26:2)				0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001
hex2Cer(d18:2/16:0)	0.0001	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002
hex2Cer(d18:2/18:0)	0.0002	0.0000	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0002
hex2Cer(d18:2/20:0)				0.0000		0.0000	0.0000	0.0000	0.0000	0.0000
hex2Cer(d18:2/22:0)	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002
hex2Cer(d18:2/23:0)	0.0000		0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
hex2Cer(d18:2/23:1)				0.0000		0.0000	0.0000	0.0000	0.0000	0.0000
hexCer(d16:1/20:0)	0.0002	0.0003	0.0003	0.0004	0.0003	0.0003	0.0002	0.0003	0.0003	0.0003
hexCer(d16:1/22:0)	0.0011	0.0010	0.0012	0.0017	0.0014	0.0009	0.0006	0.0006	0.0007	0.0008
hexCer(d18:0/14:0)	0.0001	0.0002	0.0003	0.0002	0.0001	0.0003	0.0002	0.0002	0.0003	0.0002
hexCer(d18:0/16:0)	0.0104	0.0085	0.0105	0.0152	0.0097	0.0093	0.0080	0.0070	0.0075	0.0089
hexCer(d18:0/18:0)	0.0017	0.0014	0.0021	0.0019	0.0019	0.0019	0.0018	0.0015	0.0014	0.0019
hexCer(d18:0/18:1)	0.0012	0.0010	0.0013	0.0018	0.0014	0.0006	0.0006	0.0005	0.0005	0.0006
hexCer(d18:0/20:0)	0.0014	0.0008	0.0013	0.0015	0.0016	0.0031	0.0023	0.0020	0.0027	0.0031
hexCer(d18:0/22:0)	0.0053	0.0034	0.0061	0.0079	0.0075	0.0060	0.0057	0.0053	0.0049	0.0071
hexCer(d18:0/24:0)	0.0025	0.0027	0.0024	0.0039	0.0038	0.0027	0.0022	0.0030	0.0021	0.0029
hexCer(d18:0/24:1)	0.0071	0.0060	0.0083	0.0099	0.0109	0.0089	0.0071	0.0090	0.0078	0.0095
hexCer(d18:0/24:2)	0.0057	0.0058	0.0066	0.0081	0.0078	0.0073	0.0059	0.0074	0.0061	0.0077
hexCer(d18:0/25:0)	0.0002	0.0002	0.0001	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002
hexCer(d18:0/25:1)	0.0014	0.0014	0.0016	0.0021	0.0023	0.0022	0.0017	0.0022	0.0016	0.0021
hexCer(d18:0/25:2)	0.0011	0.0012	0.0014	0.0017	0.0015	0.0021	0.0016	0.0020	0.0017	0.0021
hexCer(d18:0/26:1)	0.0001		0.0002	0.0001	0.0002	0.0002	0.0001		0.0001	0.0002
hexCer(d18:0/26:2)				0.0002	0.0003	0.0004	0.0004	0.0004	0.0003	0.0005
hexCer(d18:1/14:0)	0.0015	0.0014	0.0014	0.0021	0.0014	0.0015	0.0011	0.0012	0.0012	0.0016
hexCer(d18:1/16:0)	0.1122	0.0983	0.1055	0.1486	0.1169	0.0620	0.0493	0.0505	0.0496	0.0656
hexCer(d18:1/18:0)	0.0243	0.0220	0.0247	0.0351	0.0307	0.0120	0.0097	0.0096	0.0099	0.0128
hexCer(d18:1/20:0)	0.0042	0.0036	0.0045	0.0061	0.0058	0.0070	0.0058	0.0058	0.0059	0.0072
hexCer(d18:1/22:0)	0.0302	0.0282	0.0342	0.0444	0.0475	0.0326	0.0270	0.0265	0.0271	0.0339
hexCer(d18:1/23:0)	0.0076	0.0076	0.0094	0.0128	0.0134	0.0082	0.0066	0.0068	0.0067	0.0083
hexCer(d18:1/24:0)	0.0408	0.0382	0.0461	0.0630	0.0700	0.0432	0.0346	0.0349	0.0337	0.0427
hexCer(d18:1/24:1)	0.0375	0.0369	0.0427	0.0578	0.0532	0.0495	0.0417	0.0405	0.0402	0.0527
hexCer(d18:1/24:2)	0.0037	0.0036	0.0042	0.0055	0.0049	0.0049	0.0042	0.0040	0.0039	0.0051
hexCer(d18:1/25:0)	0.0008	0.0008	0.0010	0.0013	0.0014	0.0012	0.0010	0.0010	0.0009	0.0012
hexCer(d18:1/25:1)	0.0009	0.0008	0.0010	0.0014	0.0014	0.0019	0.0016	0.0015	0.0015	0.0020
hexCer(d18:1/25:2)	0.0002	0.0002	0.0002	0.0002	0.0002	0.0003	0.0003	0.0002	0.0003	0.0004
hexCer(d18:1/26:0)	0.0003	0.0003	0.0003	0.0005	0.0005	0.0005	0.0004	0.0004	0.0004	0.0006
hexCer(d18:1/26:1)	0.0006	0.0006	0.0007	0.0010	0.0010	0.0018	0.0016	0.0015	0.0014	0.0021
hexCer(d18:1/26:2)	0.0002	0.0002	0.0002	0.0003	0.0003	0.0006	0.0005	0.0004	0.0005	0.0007
hexCer(d18:2/16:0)	0.0025	0.0021	0.0023	0.0035	0.0024	0.0010	0.0008	0.0008	0.0008	0.0011
hexCer(d18:2/18:0)	0.0020	0.0018	0.0018	0.0029	0.0020	0.0005	0.0004	0.0005	0.0004	0.0006
hexCer(d18:2/20:0)	0.0004	0.0004	0.0004	0.0006	0.0004	0.0004	0.0003	0.0003	0.0003	0.0004
hexCer(d18:2/22:0)	0.0035	0.0038	0.0041	0.0054	0.0043	0.0020	0.0016	0.0015	0.0016	0.0020
hexCer(d18:2/23:0)	0.0006	0.0008	0.0009	0.0011	0.0009	0.0004	0.0003	0.0003	0.0003	0.0004
hexCer(d18:2/23:1)	0.0002	0.0002	0.0003	0.0003	0.0003	0.0002	0.0001	0.0001	0.0001	0.0002
PE(16:0p/18:2)	0.0205	0.0156	0.0162	0.0202	0.0179	0.0095	0.0106	0.0100	0.0080	0.0080
PE(16:0p/20:1)	0.0069		0.0064	0.0051	0.0063	0.0084	0.0076	0.0083	0.0069	0.0059
PE(16:0p/20:2)	0.0065	0.0054	0.0068	0.0066	0.0071	0.0044	0.0055	0.0051	0.0057	0.0043
PE(16:0p/20:3)	0.0442	0.0376	0.0358	0.0314	0.0383	0.0185	0.0185	0.0161	0.0164	0.0131
PE(16:0p/20:4)	0.8379	0.6829	0.7074	0.6702	0.6831	0.2842	0.2771	0.2775	0.2886	0.2364
PE(16:0p/22:4)	0.1590	0.1352	0.1368	0.1225	0.1586	0.1313	0.1288	0.1122	0.1256	0.1051
PE(16:0p/22:5)	0.2954	0.2494	0.2519	0.2128	0.2595	0.2397	0.2485	0.2337	0.2374	0.2040
PE(16:0p/22:6)	0.3877	0.3285	0.3238	0.3146	0.3439	0.3453	0.3489	0.3224	0.3431	0.2983
PE(18:0p/18:1)	0.3984	0.3350	0.3398	0.3499	0.4360	0.1827	0.1732	0.1701	0.1675	0.1458
PE(18:0p/18:2)	0.0222	0.0243	0.0214	0.0218	0.0232	0.0154	0.0172	0.0138	0.0135	0.0116
PE(18:0p/18:3)	0.0021	0.0021	0.0032	0.0024	0.0034	0.0016	0.0012	0.0014	0.0017	0.0013
PE(18:0p/20:3)	0.0404	0.0299	0.0318	0.0295	0.0330	0.0146	0.0172	0.0163	0.0145	0.0135
PE(18:0p/20:4)	1.5806	1.3529	1.4713	1.3934	1.4753	0.5877	0.5646	0.5059	0.5053	0.4707
PE(18:0p/20:5)	0.1398	0.1197	0.1245	0.1279	0.1314	0.0694	0.0717	0.0658	0.0688	0.0621
PE(18:0p/22:6)	0.4549	0.3930	0.4150	0.5292	0.4542	0.4574	0.4260	0.3900	0.4042	0.4179
PE(18:0p/24:6)	0.0051	0.0064	0.0046	0.0055	0.0055	0.0053	0.0048	0.0051	0.0050	0.0049
PE(30:0)	0.0044	0.0032	0.0034	0.0055	0.0038	0.0106	0.0079	0.0066	0.0076	0.0088
PE(30:1)	0.0043	0.0032	0.0031	0.0053	0.0035	0.0077	0.0060	0.0049	0.0060	0.0071
PE(32:0)	0.0200	0.0171	0.0194	0.0161	0.0303	0.0359	0.0420	0.0280	0.0405	0.0446
PE(32:1)	0.0956	0.0753	0.0749	0.1133	0.0850	0.1480	0.1273	0.1215	0.1319	0.1397
PE(34:0)	0.0331	0.0348	0.0252	0.0451	0.0433	0.0800	0.0543	0.0589	0.0580	0.0669
PE(34:1)	0.8555	0.6029	0.7022	0.8263	0.7596	0.8349	0.8285	0.7944	0.7857	0.7712
PE(34:2)	0.2073	0.1750	0.1657	0.2164	0.1751	0.2740	0.2895	0.2773	0.2702	0.2744
PE(36:0)	0.0187	0.0225	0.0144	0.0179	0.0230	0.0265	0.0197	0.0125	0.0196	0.0250
PE(36:1)	0.9029	0.7177	0.8202	0.8161	0.9120	0.9222	0.9388	0.9390	0.8679	0.8521
PE(36:2)	0.8331	0.6983	0.6822	0.7286	0.7282	1.0418	1.0278	1.0505	0.9825	0.9605
PE(36:3)	0.2043	0.1537	0.1637	0.1850	0.1693	0.2116	0.2033	0.1905	0.1841	0.1924
PE(36:4)	0.2469	0.2052	0.1844	0.1761	0.1914	0.1281	0.1370	0.1345	0.1346	0.1196
PE(36:5)	0.0514	0.0383	0.0394	0.0411	0.0407	0.0323	0.0384	0.0364	0.0354	0.0316
PE(38:2)	0.0296	0.0618	0.0572	0.0572	0.0520	0.0803	0.0804	0.0704	0.0568	0.0702
PE(38:3)	0.3233	0.3150	0.3096	0.2706	0.3011	0.2073	0.2403	0.2314	0.2218	0.1969
PE(38:4)	1.5513	1.4056	1.2127	1.0543	1.3557	0.9165	0.9405	0.9512	0.8573	0.7648
PE(38:5)	0.4878	0.4033	0.3870	0.3593	0.3779	0.3874	0.4220	0.4341	0.3828	0.3563
PE(38:6)	0.2883	0.2336	0.2153	0.1895	0.2231	0.1876	0.1817	0.1812	0.1836	0.1534
PE(40:4)	0.2290	0.2024	0.1700	0.1581	0.2056	0.1383	0.1380	0.1338	0.1245	0.1136
PE(40:5)	0.3065	0.2595	0.2497	0.2087	0.2642	0.1912	0.2048	0.2021	0.1774	0.1569
PE(40:6)	0.3947	0.3012	0.3235	0.2412	0.3365	0.2475	0.2623	0.2633	0.2331	0.2077
PE(40:7)	0.1994	0.1880	0.1503	0.1167	0.1512	0.1444	0.1620	0.1628	0.1522	0.1332
PE(40:8)	0.0259	0.0247	0.0186	0.0128	0.0207	0.0163	0.0171	0.0179	0.0160	0.0140
PG(34:1)	0.5169	0.4034	0.3710	0.5395	0.4531	0.5986	0.5621	0.7115	0.6501	0.7312
PG(34:2)	0.0326	0.0320	0.0272	0.0354	0.0275	0.0434	0.0411	0.0460	0.0365	0.0484
PG(36:1)	0.3161	0.2463	0.2647	0.2878	0.3487	0.3240	0.2751	0.3851	0.3051	0.3362
PG(36:2)	0.4551	0.3618	0.3587	0.4543	0.4447	0.2904	0.2925	0.3392	0.2889	0.2832
PG(38:2)	0.0046	0.0043		0.0034	0.0040	0.0067	0.0086	0.0080	0.0067	0.0057
PG(38:3)	0.0187	0.0198	0.0190	0.0274	0.0203	0.0146	0.0166	0.0175	0.0204	0.0219
PI(34:1)	0.0403	0.0356	0.0379	0.0370	0.0407	0.0510	0.0578	0.0574	0.0596	0.0655
PI(34:2)	0.0175	0.0152	0.0158	0.0173	0.0161	0.0282	0.0325	0.0329	0.0301	0.0342
PI(36:1)	0.0350	0.0323	0.0360	0.0318	0.0416	0.0424	0.0495	0.0590	0.0452	0.0507
PI(36:2)	0.0554	0.0586	0.0675	0.0625	0.0593	0.0949	0.0910	0.1092	0.0977	0.1144
PI(36:3)	0.0336	0.0321	0.0365	0.0329	0.0303	0.0372	0.0376	0.0407	0.0340	0.0348
PI(38:2)	0.0072	0.0047	0.0057	0.0038	0.0051	0.0115	0.0119	0.0103	0.0130	0.0099
PI(38:3)		0.0312	0.0139	0.0207	0.0448	0.0417	0.0619	0.0680	0.0454	0.0508
PI(38:4)	0.3477	0.4054	0.4882	0.5331	0.4899	0.3257	0.4658	0.4276	0.4136	0.4093
PI(38:5)	0.1078	0.0826	0.1040	0.0985	0.0994	0.1408	0.2040	0.1545	0.1228	0.1625
PI(40:4)	0.0158	0.0138	0.0182	0.0216	0.0210	0.0209	0.0232	0.0231	0.0182	0.0214
PI(40:5)	0.0563	0.0585	0.0631	0.0633	0.0574	0.0609	0.0684	0.0670	0.0599	0.0684
PI(40:6)	0.0283	0.0263	0.0277	0.0310	0.0279	0.0335	0.0351	0.0339	0.0331	0.0374
PI(40:7)	0.0073	0.0061	0.0068	0.0071	0.0053	0.0063	0.0069	0.0082	0.0074	0.0088
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
Cer(d18:0/14:0)						1.55			
Cer(d18:0/16:0)						1.53			
Cer(d18:0/18:0)						1.53			
Cer(d18:0/18:1)						1.53			
Cer(d18:0/20:0)						1.52			
Cer(d18:0/22:0)						1.5			
Cer(d18:0/23:0)						1.5			
Cer(d18:0/24:0)						1.49			
Cer(d18:0/24:1)						1.49			
Cer(d18:0/24:2)						1.51			
Cer(d18:0/24:3)						1.48			
Cer(d18:0/25:0)						1.49			
Cer(d18:0/25:1)						1.48			
Cer(d18:0/25:2)						1.48			
Cer(d18:0/26:0)						1.53			
Cer(d18:0/26:1)						1.48			
Cer(d18:0/26:2)						1.46			
Cer(d18:1/14:0)						1.54			
Cer(d18:1/16:0)						1.53			
Cer(d18:1/18:0)						1.52			
Cer(d18:1/18:1)						1.51			
Cer(d18:1/20:0)						1.51			
Cer(d18:1/22:0)						1.5			
Cer(d18:1/23:0)						1.49			
Cer(d18:1/24:0)						1.49			
Cer(d18:1/24:1)						1.48			
Cer(d18:1/24:2)						1.48			
Cer(d18:1/24:3)						1.48			
Cer(d18:1/25:0)						1.5			
Cer(d18:1/25:1)						1.47			
Cer(d18:1/25:2)						1.47			
Cer(d18:1/26:0)						1.47			
Cer(d18:1/26:1)						1.47			
Cer(d18:1/26:2)						1.47			
Cer(d18:2/14:0)						1.53			
Cer(d18:2/16:0)						1.53			
Cer(d18:2/18:0)						1.51			
Cer(d18:2/18:1)						1.52			
Cer(d18:2/20:0)						1.5			
Cer(d18:2/21:0)						1.49			
Cer(d18:2/22:0)						1.49			
Cer(d18:2/23:0)						1.47			
Cer(d18:2/23:1)						1.48			
Cer(d18:2/24:0)						1.46			
Cer(d18:2/24:1)						1.48			
Cer(d18:2/24:2)						1.47			
Cer(d18:2/24:3)						1.45			
Cer(d18:2/25:0)						1.46			
Cer(d18:2/25:1)						1.47			
Cer(d18:2/25:2)						1.5			
Cer(d18:2/26:0)						1.46			
Cer(d18:2/26:1)						1.46			
Cer(d18:2/26:2)						1.46			
hex2Cer(d18:0/14:0)						5.22			
hex2Cer(d18:0/16:0)						5.28			
hex2Cer(d18:0/18:0)						5.25			
hex2Cer(d18:0/22:0)						5.23			
hex2Cer(d18:1/14:0)						5.31			
hex2Cer(d18:1/16:0)						5.28			
hex2Cer(d18:1/18:0)						5.25			
hex2Cer(d18:1/20:0)						5.2			
hex2Cer(d18:1/22:0)						5.2			
hex2Cer(d18:1/23:0)						5.2			
hex2Cer(d18:1/24:0)						5.2			
hex2Cer(d18:1/24:1)						5.21			
hex2Cer(d18:1/24:2)						5.21			
hex2Cer(d18:1/25:0)						5.18			
hex2Cer(d18:1/25:1)						5.2			
hex2Cer(d18:1/25:2)						5.06			
hex2Cer(d18:1/26:0)						5.2			
hex2Cer(d18:1/26:1)						5.18			
hex2Cer(d18:1/26:2)						5.17			
hex2Cer(d18:2/16:0)						5.28			
hex2Cer(d18:2/18:0)						5.24			
hex2Cer(d18:2/20:0)						5.22			
hex2Cer(d18:2/22:0)						5.2			
hex2Cer(d18:2/23:0)						5.19			
hex2Cer(d18:2/23:1)						5.2			
hexCer(d16:1/20:0)						3.27			
hexCer(d16:1/22:0)						3.19			
hexCer(d18:0/14:0)						3.46			
hexCer(d18:0/16:0)						3.39			
hexCer(d18:0/18:0)						3.28			
hexCer(d18:0/18:1)						3.29			
hexCer(d18:0/20:0)						3.2			
hexCer(d18:0/22:0)						3.12			
hexCer(d18:0/24:0)						3.09			
hexCer(d18:0/24:1)						3.1			
hexCer(d18:0/24:2)						3.07			
hexCer(d18:0/25:0)						3.1			
hexCer(d18:0/25:1)						3.09			
hexCer(d18:0/25:2)						3.07			
hexCer(d18:0/26:1)						3.01			
hexCer(d18:0/26:2)						3.07			
hexCer(d18:1/14:0)						3.52			
hexCer(d18:1/16:0)						3.37			
hexCer(d18:1/18:0)						3.28			
hexCer(d18:1/20:0)						3.22			
hexCer(d18:1/22:0)						3.12			
hexCer(d18:1/23:0)						3.06			
hexCer(d18:1/24:0)						3.07			
hexCer(d18:1/24:1)						3.08			
hexCer(d18:1/24:2)						3.12			
hexCer(d18:1/25:0)						3.05			
hexCer(d18:1/25:1)						3.05			
hexCer(d18:1/25:2)						3.05			
hexCer(d18:1/26:0)						3.01			
hexCer(d18:1/26:1)						3.04			
hexCer(d18:1/26:2)						3.11			
hexCer(d18:2/16:0)						3.37			
hexCer(d18:2/18:0)						3.31			
hexCer(d18:2/20:0)						3.22			
hexCer(d18:2/22:0)						3.11			
hexCer(d18:2/23:0)						3.05			
hexCer(d18:2/23:1)						3.07			
PE(16:0p/18:2)						6.64			
PE(16:0p/20:1)						6.62			
PE(16:0p/20:2)						6.6			
PE(16:0p/20:3)						6.56			
PE(16:0p/20:4)						6.52			
PE(16:0p/22:4)						6.51			
PE(16:0p/22:5)						6.55			
PE(16:0p/22:6)						6.5			
PE(18:0p/18:1)						6.61			
PE(18:0p/18:2)						6.61			
PE(18:0p/18:3)						6.57			
PE(18:0p/20:3)						6.48			
PE(18:0p/20:4)						6.48			
PE(18:0p/20:5)						6.48			
PE(18:0p/22:6)						6.44			
PE(18:0p/24:6)						6.45			
PE(30:0)						6.8			
PE(30:1)						6.79			
PE(32:0)						6.77			
PE(32:1)						6.74			
PE(34:0)						6.72			
PE(34:1)						6.72			
PE(34:2)						6.7			
PE(36:0)						6.67			
PE(36:1)						6.67			
PE(36:2)						6.65			
PE(36:3)						6.66			
PE(36:4)						6.62			
PE(36:5)						6.59			
PE(38:2)						6.63			
PE(38:3)						6.6			
PE(38:4)						6.56			
PE(38:5)						6.57			
PE(38:6)						6.59			
PE(40:4)						6.58			
PE(40:5)						6.58			
PE(40:6)						6.56			
PE(40:7)						6.52			
PE(40:8)						6.55			
PG(34:1)						5.47			
PG(34:2)						5.46			
PG(36:1)						5.44			
PG(36:2)						5.44			
PG(38:2)						5.44			
PG(38:3)						5.42			
PI(34:1)						5.73			
PI(34:2)						5.7			
PI(36:1)						5.7			
PI(36:2)						5.69			
PI(36:3)						5.69			
PI(38:2)						5.67			
PI(38:3)						5.66			
PI(38:4)						5.65			
PI(38:5)						5.65			
PI(40:4)						5.65			
PI(40:5)						5.65			
PI(40:6)						5.65			
PI(40:7)						5.65			
METABOLITES_END
#END