#METABOLOMICS WORKBENCH cordeirofb_20180116_061046 DATATRACK_ID:1300 STUDY_ID:ST001113 ANALYSIS_ID:AN001809 PROJECT_ID:PR000744
VERSION             	1
CREATED_ON             	December 12, 2018, 12:17 am
#PROJECT
PR:PROJECT_TITLE                 	Exposure to Oral Contraceptives Alters Human Endometrial Stem Cells Culture
PR:PROJECT_TITLE                 	Media Metabolomics
PR:PROJECT_SUMMARY               	The project analyzed the effect of oral contraceptives in the metabolism of
PR:PROJECT_SUMMARY               	endometrial mesenchmal stem cells, via culture media quantitative metabolomics.
PR:INSTITUTE                     	Sao Paulo Federal University
PR:LAST_NAME                     	Bertuccez Cordeiro
PR:FIRST_NAME                    	Fernanda
PR:ADDRESS                       	Rua Embau, 231, Vila Clementino, Sao Paulo, São Paulo, 04039-060, Brazil
PR:EMAIL                         	fernandabertuccez85@gmail.com
PR:PHONE                         	5511996667402
#STUDY
ST:STUDY_TITLE                   	Exposure to Oral Contraceptives Alters Human Endometrial Stem Cells Culture
ST:STUDY_TITLE                   	Media Metabolomics
ST:STUDY_SUMMARY                 	Although the effects of oral contraceptives (OCs) in the endometrium has been
ST:STUDY_SUMMARY                 	well established, its influence in the production and metabolism of endometrial
ST:STUDY_SUMMARY                 	mesenchymal stem cells (EnMSC) remains unclear. Therefore, we analyzed the
ST:STUDY_SUMMARY                 	effect of OCs in the EnMSC secretome by culture media quantitative metabolomics.
ST:STUDY_SUMMARY                 	The EnMSC were collected from menstrual shedding of five donors (OC group, n=3;
ST:STUDY_SUMMARY                 	control, non-OC group, n=2) and cultured for three passages. Cells
ST:STUDY_SUMMARY                 	characterization was performed by flow cytometry, and culture media was
ST:STUDY_SUMMARY                 	collected at the end of each passage for further quantitative metabolomics. The
ST:STUDY_SUMMARY                 	metabolites with higher discriminant power for sample classification were
ST:STUDY_SUMMARY                 	Alanine, PC aa C30:0, c4-OH-Pro, PC aa C32:2, PC ae C32:2, PC ae C40:2, glycine
ST:STUDY_SUMMARY                 	and PC ae C32:1 for the OC group, whereas PC aa C36:6, PC aa C34:4, SM OH C16:1,
ST:STUDY_SUMMARY                 	SM C26:0, PC aa C38:0, serine and PC aa C36:5 were representative of the non-OC
ST:STUDY_SUMMARY                 	group. This panel of metabolites showed 98% of sensitivity in sample
ST:STUDY_SUMMARY                 	classification according with respective groups. Altered concentrations of
ST:STUDY_SUMMARY                 	metabolites may be an effect of OC hormonal properties on EnMSC metabolism.
ST:STUDY_SUMMARY                 	Thus, this metabolomic approach could assist in the management of future stem
ST:STUDY_SUMMARY                 	cell therapies according to patients’ specific responses to hormone
ST:STUDY_SUMMARY                 	treatments.
ST:INSTITUTE                     	Sao Paulo Federal University
ST:LAST_NAME                     	Cordeiro
ST:FIRST_NAME                    	Fernanda
ST:ADDRESS                       	Rua Embau, 231, Vila Clementino
ST:EMAIL                         	fernandabertuccez85@gmail.com
ST:PHONE                         	11996667402
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Woman
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	R1	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R2	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R3	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R4	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R5	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R6	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R7	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R8	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R9	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R10	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R11	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R12	Study Group:non-OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R13	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R14	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
SUBJECT_SAMPLE_FACTORS           	-	R15	Study Group:OC	Amount of sample=10 µL; Extraction=5 mM ammonium acetate in methanol; Method of analysis=MRM by flow injection
#COLLECTION
CO:COLLECTION_SUMMARY            	The endometrial mesenchymal stem cells (EnMSC) were collected from menstrual
CO:COLLECTION_SUMMARY            	shedding, isolated and cultured in vitro from donors who used or not oral
CO:COLLECTION_SUMMARY            	contraceptives. The EnMSC were grown up until the second passage (P2) and 24h
CO:COLLECTION_SUMMARY            	before the end of each passage (P0, P1 and P2) the culture medium was completely
CO:COLLECTION_SUMMARY            	replaced for the collection. The samples were centrifuged at 400 × g for 5
CO:COLLECTION_SUMMARY            	minutes, filtered with 0,2 µm filter and stored at -80 ºC until the
CO:COLLECTION_SUMMARY            	metabolomics analysis without any extraction method.
CO:SAMPLE_TYPE                   	Stem cells culture media
#TREATMENT
TR:TREATMENT_SUMMARY             	Culture media samples were collected by the end of each passage, kept under -20C
TR:TREATMENT_SUMMARY             	until the moment of analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The endometrial mesenchymal stem cells (EnMSC) were collected from menstrual
SP:SAMPLEPREP_SUMMARY            	shedding, isolated and cultured in vitro from donors who used or not oral
SP:SAMPLEPREP_SUMMARY            	contraceptives. The EnMSC were grown up until the second passage (P2) and 24h
SP:SAMPLEPREP_SUMMARY            	before the end of each passage (P0, P1 and P2) the culture medium was completely
SP:SAMPLEPREP_SUMMARY            	replaced for the collection. The samples were centrifuged at 400 × g for 5
SP:SAMPLEPREP_SUMMARY            	minutes, filtered with 0,2 µm filter and stored at -80 ºC until the
SP:SAMPLEPREP_SUMMARY            	metabolomics analysis without any extraction method.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	None
CH:COLUMN_NAME                   	none
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:ANALYSIS_TYPE                 	MS
MS:INSTRUMENT_NAME               	ABI Sciex 4000 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	umol
MS_METABOLITE_DATA_START
Samples	R1	R2	R3	R4	R5	R6	R7	R8	R9	R10	R11	R12	R13	R14	R15
Factors	Study Group:OC	Study Group:OC	Study Group:OC	Study Group:OC	Study Group:OC	Study Group:OC	Study Group:non-OC	Study Group:non-OC	Study Group:non-OC	Study Group:non-OC	Study Group:non-OC	Study Group:non-OC	Study Group:OC	Study Group:OC	Study Group:OC
Alanine	457.000	477.000	458.000	468.000	498.000	489.000	441.000	442.000	446.000	442.000	454.000	453.000	602.000	468.000	473.000
Arginine	398.000	336.000	366.000	300.000	343.000	417.000	365.000	310.000	357.000	386.000	388.000	347.000	326.000	409.000	356.000
Asparagine	161.000	152.000	172.000	136.000	143.000	161.000	162.000	162.000	165.000	159.000	159.000	155.000	107.000	161.000	161.000
Aspartic Acid	262.000	254.000	249.000	242.000	253.000	256.000	219.000	237.000	237.000	258.000	244.000	233.000	188.000	259.000	237.000
Citrulline	9.380	9.630	8.240	9.740	9.200	8.500	8.520	9.640	9.680	8.910	8.340	8.720	10.600	10.200	8.870
Glutamine	864.000	2211.000	2239.000	580.000	2241.000	2622.000	2368.000	2031.000	1690.000	2580.000	2035.000	1801.000	1044.000	1877.000	1628.000
Glutamic Acid	815.000	1004.000	971.000	748.000	990.000	903.000	853.000	942.000	926.000	769.000	763.000	848.000	1175.000	862.000	819.000
Glycine	605.000	584.000	604.000	495.000	589.000	697.000	551.000	537.000	589.000	561.000	590.000	570.000	651.000	646.000	597.000
Histidine	213.000	205.000	207.000	173.000	197.000	236.000	208.000	182.000	190.000	216.000	211.000	198.000	195.000	218.000	202.000
Isoleucine	686.000	619.000	609.000	590.000	608.000	711.000	659.000	570.000	589.000	668.000	682.000	631.000	648.000	675.000	633.000
Leucine	716.000	639.000	638.000	584.000	621.000	714.000	671.000	591.000	611.000	701.000	709.000	652.000	663.000	710.000	660.000
Lysine	833.000	792.000	879.000	779.000	812.000	868.000	821.000	793.000	830.000	797.000	809.000	818.000	797.000	836.000	795.000
Methionine	213.000	194.000	195.000	168.000	190.000	227.000	208.000	181.000	186.000	219.000	213.000	197.000	190.000	219.000	198.000
Ornithine	58.700	36.300	26.700	38.500	34.800	39.200	38.600	33.600	33.100	49.900	45.800	42.900	58.900	54.200	48.200
Phenylalanine	415.000	377.000	377.000	337.000	368.000	431.000	384.000	347.000	366.000	399.000	403.000	379.000	390.000	399.000	386.000
Proline	366.000	387.000	426.000	289.000	375.000	430.000	348.000	366.000	351.000	352.000	355.000	349.000	378.000	361.000	367.000
Serine	363.000	233.000	234.000	249.000	230.000	277.000	347.000	241.000	242.000	360.000	335.000	285.000	97.000	316.000	274.000
Threonine	810.000	763.000	782.000	727.000	763.000	776.000	755.000	733.000	781.000	761.000	751.000	745.000	764.000	770.000	732.000
Tryptophan	87.200	82.500	80.100	65.000	77.800	94.500	85.800	75.800	79.400	88.800	89.200	81.300	78.600	88.700	83.200
Tyrosine	390.000	375.000	376.000	302.000	359.000	426.000	376.000	342.000	362.000	395.000	400.000	373.000	386.000	407.000	385.000
Valine	821.000	758.000	735.000	681.000	731.000	847.000	780.000	702.000	705.000	802.000	793.000	746.000	764.000	811.000	767.000
Ac-Orn	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
"NG,NG-Dimethyl-L-arginine"	0.686	0.847	0.759	0.753	0.812	0.738	0.674	0.825	0.838	0.616	0.565	0.722	0.923	0.685	0.720
alpha-aminoadipate	1.820	2.060	2.000	2.250	2.020	1.990	2.030	4.010	2.710	1.930	1.550	2.290	1.910	1.940	2.210
c4-OH-Pro	0.147	0.000	0.148	0.000	0.147	0.152	0.000	0.000	0.000	0.000	0.000	0.148	0.000	0.152	0.149
Carnosine	5.010	4.470	3.450	3.640	4.210	4.290	4.830	4.180	4.430	4.990	4.490	4.720	4.480	5.040	4.920
Creatinine	28.800	30.000	23.600	28.300	29.800	24.100	27.000	29.800	28.100	28.600	27.300	29.300	29.300	30.200	27.200
Levodopa	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
Dopamine	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
Histamine	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
Kynurenine	0.451	0.547	0.379	1.480	0.688	0.470	0.503	0.580	0.595	0.574	0.417	0.492	0.587	0.549	0.513
Methionine Sulfoxide	6.230	2.620	2.880	5.250	2.300	3.130	2.000	2.220	3.340	2.130	3.850	5.490	4.430	4.060	3.990
Nitrotyrosine	0.000	0.000	0.000	0.000	0.000	0.002	0.000	0.000	0.003	0.000	0.000	0.000	0.000	0.000	0.000
PEA	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
Putrescine	0.004	0.020	0.039	0.016	0.031	0.039	0.014	0.029	0.049	0.016	0.091	0.032	0.157	0.021	0.027
Sarcosine	0.647	0.640	0.612	0.613	0.570	0.301	0.559	0.599	0.564	0.649	0.495	0.583	0.618	0.599	0.548
Symmetric dimethylarginine	0.630	0.613	0.514	0.598	0.543	0.526	0.529	0.576	0.601	0.579	0.584	0.563	0.616	0.640	0.582
Serotonin	0.121	0.459	0.235	0.062	0.474	0.205	0.422	0.439	0.069	0.494	0.036	0.019	0.031	0.068	0.039
Spermidine	0.044	0.041	0.044	0.044	0.043	0.040	0.039	0.041	0.044	0.040	0.040	0.042	0.047	0.041	0.041
Spermine	0.104	0.092	0.093	0.090	0.090	0.090	0.000	0.090	0.089	0.088	0.092	0.090	0.092	0.089	0.090
Hydroxyproline	15.300	14.700	10.500	15.700	15.400	10.900	12.700	14.000	13.800	13.500	12.200	13.400	17.900	14.000	12.500
Taurine	13.100	11.100	9.850	11.300	12.000	9.720	10.700	11.900	10.600	11.900	10.400	11.900	6.270	13.100	10.700
DL-Carnitine	2.540	2.510	2.200	2.150	2.420	2.320	2.410	2.130	2.310	2.650	2.490	2.390	2.680	2.550	2.580
Acetyl-L-carnitine	0.493	0.537	0.450	0.516	0.542	0.537	0.472	0.521	0.503	0.500	0.489	0.530	0.540	0.557	0.521
Propionyl-L-carnitine	0.241	0.196	0.174	0.206	0.192	0.192	0.183	0.189	0.191	0.210	0.210	0.212	0.200	0.221	0.208
Malonyl-L-carnitine	0.012	0.012	0.011	0.011	0.013	0.015	0.010	0.010	0.013	0.012	0.013	0.011	0.011	0.009	0.013
Hydroxypropionyl-L-carnitine	0.008	0.008	0.009	0.008	0.007	0.011	0.010	0.008	0.010	0.009	0.009	0.008	0.009	0.010	0.010
Propenyl-L-carnitine	0.010	0.010	0.009	0.008	0.011	0.010	0.009	0.010	0.008	0.009	0.010	0.008	0.012	0.010	0.009
Butyryl-L-carnitine	0.178	0.156	0.135	0.159	0.147	0.140	0.146	0.153	0.147	0.152	0.146	0.158	0.175	0.167	0.158
Butenyl-L-carnitine	0.027	0.022	0.018	0.020	0.021	0.025	0.025	0.019	0.022	0.029	0.026	0.024	0.022	0.026	0.026
Valeryl-L-carnitine	0.080	0.071	0.060	0.071	0.067	0.060	0.067	0.070	0.068	0.075	0.070	0.070	0.080	0.075	0.077
Glutaryl-L-carnitine	0.013	0.010	0.009	0.010	0.011	0.011	0.009	0.011	0.012	0.011	0.012	0.010	0.012	0.010	0.011
Methylglutaryl-L-carnitine	0.014	0.015	0.017	0.014	0.014	0.017	0.016	0.015	0.017	0.016	0.018	0.018	0.015	0.019	0.017
C5-OH (C3-DC-M)	0.461	0.412	0.402	0.357	0.403	0.464	0.388	0.361	0.407	0.410	0.454	0.403	0.474	0.445	0.420
Tiglyl-L-carnitine	0.016	0.014	0.016	0.013	0.016	0.017	0.015	0.014	0.017	0.015	0.014	0.012	0.016	0.016	0.016
Glutaconyl-L-carnitine	0.016	0.015	0.013	0.012	0.016	0.011	0.011	0.010	0.011	0.014	0.012	0.016	0.016	0.011	0.012
Fumaryl-L-carnitine	0.040	0.040	0.035	0.038	0.032	0.043	0.038	0.038	0.039	0.043	0.044	0.039	0.037	0.044	0.041
Hexenoyl-L-carnitine	0.019	0.018	0.017	0.014	0.019	0.018	0.018	0.017	0.018	0.018	0.020	0.019	0.017	0.019	0.020
Pimelyl-L-carnitine	0.006	0.093	0.007	0.007	0.006	0.007	0.008	0.005	0.008	0.009	0.007	0.007	0.008	0.006	0.007
Octanoyl-L-carnitine	0.047	0.058	0.049	0.043	0.042	0.044	0.048	0.047	0.047	0.046	0.048	0.048	0.047	0.053	0.053
Nonayl-L-carnitine	0.008	0.008	0.007	0.008	0.008	0.008	0.010	0.006	0.009	0.008	0.008	0.006	0.009	0.007	0.009
Decanoyl-L-carnitine	0.043	0.040	0.038	0.039	0.040	0.037	0.040	0.037	0.044	0.050	0.042	0.040	0.041	0.046	0.043
Decenoyl-L-carnitine	0.033	0.040	0.039	0.038	0.039	0.045	0.050	0.038	0.037	0.046	0.043	0.041	0.044	0.044	0.040
Decadienyl-L-carnitine	0.016	0.014	0.015	0.016	0.018	0.017	0.017	0.016	0.014	0.017	0.019	0.019	0.019	0.015	0.018
Dodecanoyl-L-carnitine	0.030	0.030	0.026	0.025	0.027	0.029	0.021	0.023	0.031	0.030	0.024	0.028	0.027	0.030	0.031
Dodecanedioyl-L-carnitine	0.047	0.047	0.047	0.049	0.051	0.053	0.049	0.044	0.046	0.047	0.047	0.048	0.052	0.048	0.046
Dodecenoyl-L-carnitine	0.030	0.036	0.038	0.035	0.035	0.040	0.042	0.034	0.034	0.041	0.037	0.037	0.041	0.038	0.036
Tetradecanoyl-L-carnitine	0.012	0.011	0.010	0.010	0.013	0.012	0.012	0.011	0.010	0.012	0.010	0.011	0.012	0.010	0.010
Tetradecenoyl-L-carnitine	0.004	0.006	0.004	0.003	0.004	0.006	0.004	0.006	0.004	0.005	0.003	0.004	0.004	0.004	0.005
Hydroxytetradecenoyl-L-carnitine	0.006	0.009	0.010	0.006	0.010	0.011	0.009	0.008	0.009	0.009	0.009	0.008	0.010	0.009	0.009
Tetradecadienyl-L-carnitine	0.011	0.010	0.011	0.010	0.013	0.012	0.011	0.011	0.010	0.013	0.012	0.011	0.017	0.012	0.013
Hydroxytetradecadienyl-L-carnitine	0.008	0.005	0.005	0.005	0.007	0.005	0.005	0.006	0.006	0.006	0.006	0.005	0.006	0.007	0.007
Hexadecanoyl-L-carnitine	0.011	0.009	0.008	0.007	0.011	0.008	0.010	0.008	0.008	0.008	0.008	0.009	0.008	0.010	0.010
C16-OH	0.004	0.005	0.004	0.003	0.004	0.004	0.004	0.003	0.004	0.004	0.004	0.005	0.004	0.004	0.004
Hexadecenoyl-L-carnitine	0.010	0.009	0.012	0.010	0.011	0.011	0.011	0.009	0.010	0.010	0.011	0.010	0.009	0.011	0.009
Hydroxyhexadecenoyl-L-carnitine	0.004	0.005	0.005	0.004	0.007	0.004	0.004	0.003	0.005	0.005	0.005	0.006	0.005	0.005	0.005
Hexadecadienyl-L-carnitine	0.003	0.003	0.004	0.004	0.004	0.004	0.004	0.005	0.003	0.003	0.004	0.004	0.005	0.003	0.004
Hydroxyhexadecadienyl-L-carnitine	0.008	0.009	0.010	0.009	0.009	0.009	0.009	0.010	0.009	0.008	0.008	0.009	0.008	0.010	0.010
Octadecanoyl-L-carnitine	0.005	0.002	0.003	0.003	0.012	0.004	0.003	0.003	0.003	0.004	0.005	0.004	0.004	0.005	0.005
Octadecenoyl-L-carnitine	0.009	0.009	0.007	0.008	0.010	0.009	0.007	0.008	0.008	0.009	0.009	0.009	0.008	0.008	0.010
Hydroxyoctadecenoyl-L-carnitine	0.010	0.010	0.011	0.010	0.014	0.012	0.011	0.010	0.012	0.012	0.011	0.012	0.011	0.012	0.013
Octadecadienyl-L-carnitine	0.002	0.002	0.002	0.003	0.006	0.003	0.002	0.003	0.003	0.003	0.003	0.003	0.004	0.003	0.003
lysoPhosphatidylcholine acyl C14:0	3.880	3.660	3.990	3.770	3.910	4.010	3.900	4.000	4.080	4.130	3.870	3.930	3.820	4.110	3.950
lysoPhosphatidylcholine acyl C16:0	2.340	1.720	1.220	1.580	1.910	1.540	1.500	1.670	1.710	1.760	1.680	1.890	0.912	2.370	2.060
lysoPhosphatidylcholine acyl C16:1	0.295	0.287	0.244	0.226	0.301	0.267	0.238	0.286	0.321	0.235	0.240	0.274	0.070	0.377	0.353
lysoPhosphatidylcholine acyl C17:0	0.152	0.095	0.057	0.089	0.098	0.095	0.100	0.117	0.095	0.104	0.107	0.101	0.076	0.142	0.123
lysoPhosphatidylcholine acyl C18:0	1.440	0.889	0.584	0.991	0.967	0.789	0.794	0.877	0.870	1.010	0.948	0.945	0.767	1.280	1.160
lysoPhosphatidylcholine acyl C18:1	1.240	0.896	0.614	0.805	1.110	0.818	0.886	0.950	0.968	1.050	1.010	0.964	0.228	1.500	1.300
lysoPhosphatidylcholine acyl C18:2	0.207	0.116	0.071	0.095	0.123	0.124	0.095	0.103	0.130	0.139	0.135	0.110	0.017	0.193	0.146
lysoPhosphatidylcholine acyl C20:3	0.119	0.061	0.049	0.080	0.089	0.059	0.076	0.068	0.085	0.098	0.079	0.089	0.046	0.131	0.097
lysoPhosphatidylcholine acyl C20:4	0.228	0.085	0.064	0.121	0.112	0.105	0.099	0.103	0.127	0.115	0.104	0.089	0.020	0.250	0.168
lysoPhosphatidylcholine acyl C24:0	0.240	0.240	0.266	0.271	0.260	0.272	0.276	0.260	0.282	0.295	0.263	0.275	0.284	0.245	0.235
lysoPhosphatidylcholine acyl C26:0	0.110	0.100	0.125	0.128	0.126	0.139	0.131	0.123	0.127	0.109	0.109	0.125	0.122	0.112	0.123
lysoPhosphatidylcholine acyl C26:1	0.008	0.006	0.011	0.009	0.011	0.011	0.010	0.009	0.004	0.008	0.006	0.002	0.005	0.005	0.010
lysoPhosphatidylcholine acyl C28:0	0.042	0.032	0.035	0.037	0.042	0.032	0.040	0.032	0.041	0.041	0.033	0.038	0.042	0.045	0.042
lysoPhosphatidylcholine acyl C28:1	0.010	0.010	0.014	0.015	0.014	0.017	0.015	0.012	0.013	0.012	0.011	0.015	0.019	0.016	0.011
Phosphatidylcholine diacyl C 24:0	0.013	0.010	0.013	0.012	0.011	0.012	0.012	0.012	0.011	0.010	0.010	0.012	0.010	0.013	0.010
Phosphatidylcholine diacyl C26:0	0.273	0.263	0.285	0.286	0.288	0.295	0.276	0.275	0.280	0.299	0.274	0.284	0.281	0.283	0.282
Phosphatidylcholine diacyl C28:1	0.035	0.032	0.032	0.033	0.041	0.034	0.031	0.035	0.028	0.033	0.037	0.032	0.040	0.032	0.035
Phosphatidylcholine diacyl C30:0	0.187	0.193	0.164	0.188	0.192	0.182	0.169	0.179	0.171	0.184	0.173	0.188	0.207	0.189	0.198
Phosphatidylcholine diacyl C30:2	0.004	0.010	0.001	0.009	0.003	0.000	0.000	0.005	0.013	0.000	0.006	0.000	0.009	0.017	0.014
Phosphatidylcholine diacyl C32:0	0.532	0.538	0.430	0.491	0.537	0.477	0.513	0.510	0.482	0.531	0.503	0.534	0.491	0.559	0.544
Phosphatidylcholine diacyl C32:1	0.214	0.303	0.281	0.327	0.308	0.320	0.235	0.289	0.308	0.251	0.259	0.343	0.321	0.293	0.337
Phosphatidylcholine diacyl C32:2	0.034	0.065	0.064	0.062	0.069	0.071	0.029	0.043	0.062	0.042	0.050	0.062	0.070	0.050	0.059
Phosphatidylcholine diacyl C32:3	0.007	0.007	0.008	0.008	0.007	0.008	0.006	0.007	0.009	0.007	0.006	0.013	0.012	0.008	0.009
Phosphatidylcholine diacyl C34:1	2.990	3.020	2.390	2.690	3.160	2.800	3.000	3.000	2.730	3.280	3.020	3.120	3.150	3.340	3.210
Phosphatidylcholine diacyl C34:2	0.456	0.403	0.352	0.387	0.435	0.407	0.366	0.424	0.389	0.420	0.406	0.408	0.425	0.432	0.431
Phosphatidylcholine diacyl C34:3	0.027	0.027	0.026	0.027	0.027	0.030	0.032	0.031	0.032	0.025	0.024	0.037	0.036	0.038	0.041
Phosphatidylcholine diacyl C34:4	0.005	0.007	0.006	0.005	0.011	0.008	0.006	0.012	0.009	0.009	0.008	0.010	0.009	0.008	0.009
Phosphatidylcholine diacyl C36:0	0.204	0.220	0.214	0.189	0.237	0.221	0.235	0.235	0.238	0.251	0.226	0.254	0.253	0.238	0.235
Phosphatidylcholine diacyl C36:1	2.390	2.460	1.720	1.840	2.330	1.990	2.310	2.240	2.060	2.410	2.260	2.250	2.400	2.480	2.350
Phosphatidylcholine diacyl C36:2	1.120	1.150	0.887	0.919	1.110	0.976	1.040	1.060	1.010	1.150	1.070	1.090	1.110	1.150	1.120
Phosphatidylcholine diacyl C36:3	0.437	0.418	0.324	0.363	0.406	0.377	0.390	0.391	0.379	0.412	0.393	0.393	0.403	0.427	0.415
Phosphatidylcholine diacyl C36:4	0.393	0.435	0.313	0.324	0.402	0.364	0.392	0.410	0.356	0.426	0.379	0.397	0.384	0.430	0.397
Phosphatidylcholine diacyl C36:5	0.041	0.053	0.036	0.032	0.050	0.042	0.049	0.046	0.044	0.059	0.048	0.054	0.047	0.050	0.054
Phosphatidylcholine diacyl C36:6	0.019	0.011	0.010	0.009	0.016	0.013	0.012	0.017	0.023	0.016	0.017	0.021	0.017	0.017	0.013
Phosphatidylcholine diacyl C38:0	0.067	0.081	0.053	0.048	0.088	0.072	0.077	0.082	0.074	0.090	0.086	0.089	0.085	0.088	0.081
Phosphatidylcholine diacyl C38:1	0.067	0.057	0.059	0.052	0.077	0.071	0.100	0.079	0.065	0.081	0.068	0.069	0.079	0.087	0.092
Phosphatidylcholine diacyl C38:3	0.917	0.929	0.679	0.710	0.909	0.799	0.926	0.849	0.819	0.960	0.877	0.910	0.933	0.913	0.906
Phosphatidylcholine diacyl C38:4	1.140	1.180	0.820	0.919	1.140	0.995	1.130	1.110	1.020	1.210	1.110	1.150	1.150	1.220	1.180
Phosphatidylcholine diacyl C38:5	0.676	0.806	0.599	0.510	0.770	0.678	0.767	0.762	0.700	0.841	0.752	0.788	0.773	0.829	0.798
Phosphatidylcholine diacyl C38:6	0.411	0.591	0.409	0.339	0.561	0.462	0.558	0.528	0.484	0.597	0.518	0.555	0.514	0.596	0.550
Phosphatidylcholine diacyl C40:1	0.139	0.112	0.115	0.115	0.120	0.121	0.117	0.125	0.120	0.116	0.114	0.127	0.125	0.125	0.122
Phosphatidylcholine diacyl C40:2	0.023	0.017	0.012	0.020	0.016	0.016	0.014	0.021	0.011	0.013	0.016	0.013	0.015	0.020	0.015
Phosphatidylcholine diacyl C40:3	0.033	0.026	0.026	0.031	0.034	0.034	0.031	0.030	0.029	0.036	0.033	0.035	0.032	0.030	0.028
Phosphatidylcholine diacyl C40:4	0.148	0.126	0.096	0.128	0.116	0.105	0.115	0.116	0.113	0.141	0.108	0.114	0.118	0.127	0.117
Phosphatidylcholine diacyl C40:5	0.603	0.743	0.536	0.490	0.711	0.603	0.697	0.673	0.675	0.753	0.708	0.699	0.766	0.786	0.726
Phosphatidylcholine diacyl C40:6	0.794	1.050	0.787	0.643	0.984	0.909	1.010	0.995	0.923	1.110	0.979	0.986	1.010	1.090	1.000
Phosphatidylcholine diacyl C42:0	0.019	0.022	0.021	0.025	0.027	0.019	0.021	0.027	0.024	0.027	0.027	0.020	0.018	0.016	0.025
Phosphatidylcholine diacyl C42:1	0.042	0.042	0.033	0.030	0.035	0.042	0.049	0.043	0.040	0.036	0.044	0.045	0.034	0.047	0.047
Phosphatidylcholine diacyl C42:2	0.035	0.035	0.039	0.036	0.037	0.032	0.030	0.035	0.033	0.032	0.038	0.031	0.030	0.032	0.033
Phosphatidylcholine diacyl C42:4	0.018	0.009	0.006	0.018	0.017	0.012	0.011	0.014	0.014	0.013	0.010	0.013	0.015	0.010	0.014
Phosphatidylcholine diacyl C42:5	0.015	0.023	0.017	0.016	0.020	0.016	0.015	0.018	0.021	0.020	0.017	0.019	0.018	0.019	0.016
Phosphatidylcholine diacyl C42:6	0.051	0.053	0.054	0.059	0.065	0.052	0.055	0.055	0.051	0.065	0.059	0.062	0.052	0.068	0.070
Phosphatidylcholine acyl-alkyl C 30:0	0.050	0.042	0.045	0.042	0.040	0.043	0.039	0.040	0.035	0.036	0.037	0.047	0.045	0.039	0.044
Phosphatidylcholine acyl-alkyl C30:1	0.016	0.011	0.016	0.016	0.013	0.019	0.015	0.017	0.018	0.012	0.015	0.008	0.013	0.021	0.019
Phosphatidylcholine acyl-alkyl C30:2	0.110	0.111	0.115	0.109	0.106	0.112	0.111	0.118	0.113	0.114	0.107	0.104	0.106	0.110	0.122
Phosphatidylcholine acyl-alkyl C32:1	0.090	0.083	0.062	0.079	0.090	0.085	0.075	0.066	0.073	0.092	0.079	0.080	0.096	0.095	0.086
Phosphatidylcholine acyl-alkyl C32:2	0.027	0.028	0.028	0.024	0.032	0.024	0.024	0.026	0.024	0.027	0.026	0.025	0.031	0.035	0.029
Phosphatidylcholine acyl-alkyl C34:0	0.077	0.084	0.047	0.071	0.075	0.065	0.077	0.084	0.073	0.083	0.080	0.074	0.086	0.078	0.094
Phosphatidylcholine acyl-alkyl C34:1	0.317	0.333	0.265	0.300	0.361	0.314	0.324	0.325	0.294	0.340	0.323	0.346	0.338	0.371	0.323
Phosphatidylcholine acyl-alkyl C34:2	0.145	0.175	0.117	0.144	0.169	0.144	0.153	0.145	0.140	0.189	0.144	0.156	0.179	0.165	0.164
Phosphatidylcholine acyl-alkyl C34:3	0.019	0.018	0.015	0.013	0.022	0.016	0.017	0.018	0.014	0.018	0.016	0.019	0.019	0.019	0.022
Phosphatidylcholine acyl-alkyl C36:0	0.099	0.117	0.087	0.097	0.098	0.092	0.097	0.086	0.089	0.120	0.118	0.096	0.094	0.092	0.095
Phosphatidylcholine acyl-alkyl C36:1	0.356	0.345	0.269	0.276	0.338	0.310	0.342	0.335	0.290	0.364	0.335	0.336	0.343	0.362	0.350
Phosphatidylcholine acyl-alkyl C36:2	0.116	0.124	0.102	0.108	0.129	0.118	0.125	0.120	0.124	0.134	0.117	0.123	0.139	0.128	0.127
Phosphatidylcholine acyl-alkyl C36:3	0.043	0.053	0.033	0.050	0.058	0.053	0.047	0.052	0.052	0.055	0.058	0.052	0.057	0.052	0.051
Phosphatidylcholine acyl-alkyl C36:4	0.061	0.059	0.044	0.047	0.058	0.056	0.050	0.054	0.055	0.072	0.048	0.056	0.060	0.061	0.064
Phosphatidylcholine acyl-alkyl C36:5	0.062	0.068	0.061	0.052	0.075	0.059	0.071	0.069	0.068	0.066	0.076	0.067	0.075	0.077	0.067
Phosphatidylcholine acyl-alkyl C38:0	0.070	0.078	0.052	0.057	0.060	0.059	0.060	0.068	0.058	0.074	0.057	0.069	0.068	0.069	0.070
Phosphatidylcholine acyl-alkyl C38:1	0.054	0.074	0.053	0.055	0.073	0.063	0.061	0.065	0.068	0.072	0.074	0.069	0.076	0.076	0.072
Phosphatidylcholine acyl-alkyl C38:2	0.069	0.077	0.054	0.056	0.065	0.077	0.070	0.071	0.075	0.067	0.064	0.068	0.061	0.060	0.069
Phosphatidylcholine acyl-alkyl C38:3	0.109	0.103	0.082	0.079	0.092	0.081	0.106	0.104	0.087	0.098	0.093	0.101	0.091	0.102	0.103
Phosphatidylcholine acyl-alkyl C38:4	0.086	0.098	0.073	0.073	0.102	0.080	0.091	0.091	0.087	0.100	0.090	0.087	0.093	0.099	0.095
Phosphatidylcholine acyl-alkyl C38:5	0.087	0.095	0.076	0.072	0.092	0.085	0.075	0.091	0.083	0.094	0.084	0.099	0.101	0.098	0.089
Phosphatidylcholine acyl-alkyl C38:6	0.096	0.147	0.091	0.082	0.121	0.091	0.109	0.105	0.103	0.125	0.116	0.117	0.126	0.140	0.124
Phosphatidylcholine acyl-alkyl C40:1	0.021	0.020	0.013	0.019	0.022	0.011	0.017	0.019	0.017	0.023	0.015	0.023	0.018	0.018	0.019
Phosphatidylcholine acyl-alkyl C40:2	0.041	0.029	0.028	0.037	0.031	0.027	0.034	0.027	0.025	0.027	0.027	0.029	0.036	0.031	0.033
Phosphatidylcholine acyl-alkyl C40:3	0.069	0.048	0.043	0.046	0.043	0.046	0.049	0.056	0.045	0.053	0.044	0.051	0.053	0.058	0.062
Phosphatidylcholine acyl-alkyl C40:4	0.085	0.080	0.058	0.076	0.081	0.076	0.080	0.075	0.066	0.075	0.069	0.082	0.074	0.068	0.073
Phosphatidylcholine acyl-alkyl C40:5	0.108	0.118	0.073	0.083	0.106	0.087	0.103	0.099	0.103	0.115	0.106	0.119	0.119	0.110	0.110
Phosphatidylcholine acyl-alkyl C40:6	0.094	0.105	0.093	0.069	0.112	0.100	0.110	0.107	0.097	0.116	0.111	0.101	0.111	0.112	0.120
Phosphatidylcholine acyl-alkyl C42:0	0.243	0.240	0.244	0.264	0.254	0.261	0.241	0.246	0.253	0.258	0.254	0.261	0.243	0.255	0.245
Phosphatidylcholine acyl-alkyl C42:1	0.029	0.023	0.020	0.028	0.029	0.029	0.023	0.031	0.027	0.023	0.027	0.027	0.029	0.023	0.025
Phosphatidylcholine acyl-alkyl C42:2	0.013	0.012	0.009	0.011	0.013	0.008	0.010	0.010	0.009	0.017	0.015	0.010	0.013	0.010	0.008
Phosphatidylcholine acyl-alkyl C42:3	0.018	0.016	0.013	0.014	0.016	0.014	0.013	0.012	0.014	0.017	0.013	0.013	0.015	0.015	0.011
Phosphatidylcholine acyl-alkyl C42:4	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0.000
Phosphatidylcholine acyl-alkyl C42:5	0.433	0.411	0.416	0.427	0.402	0.420	0.407	0.439	0.430	0.404	0.414	0.422	0.419	0.429	0.428
Phosphatidylcholine acyl-alkyl C44:3	0.012	0.009	0.011	0.013	0.012	0.013	0.012	0.011	0.013	0.014	0.014	0.014	0.013	0.012	0.011
Phosphatidylcholine acyl-alkyl C44:4	0.037	0.034	0.037	0.035	0.037	0.037	0.033	0.033	0.034	0.035	0.027	0.031	0.034	0.038	0.028
Phosphatidylcholine acyl-alkyl C44:5	0.021	0.020	0.019	0.024	0.021	0.017	0.020	0.020	0.025	0.021	0.029	0.021	0.019	0.022	0.020
Phosphatidylcholine acyl-alkyl C44:6	0.013	0.014	0.013	0.013	0.018	0.014	0.017	0.012	0.016	0.018	0.009	0.014	0.016	0.015	0.013
Hydroxysphingomyeline C 14:1	0.115	0.106	0.057	0.068	0.099	0.072	0.093	0.085	0.079	0.102	0.100	0.109	0.099	0.098	0.091
Hydroxysphingomyeline C16:1	0.122	0.136	0.092	0.106	0.130	0.126	0.136	0.134	0.122	0.149	0.119	0.131	0.132	0.127	0.122
Hydroxysphingomyeline C22:1	0.295	0.320	0.223	0.262	0.284	0.251	0.282	0.285	0.246	0.304	0.268	0.283	0.326	0.317	0.298
Hydroxysphingomyeline C22:2	0.226	0.239	0.157	0.185	0.226	0.173	0.220	0.200	0.188	0.247	0.216	0.222	0.271	0.247	0.225
Hydroxysphingomyeline C24:1	0.024	0.029	0.023	0.022	0.031	0.036	0.034	0.025	0.025	0.028	0.024	0.027	0.029	0.040	0.026
Sphingomyeline C16:0	2.930	2.680	1.890	2.320	2.570	2.380	2.640	2.530	2.350	2.820	2.580	2.620	2.660	2.810	2.730
Sphingomyeline C16:1	0.347	0.340	0.251	0.289	0.325	0.312	0.329	0.338	0.286	0.359	0.315	0.332	0.338	0.348	0.338
Sphingomyeline C18:0	0.650	0.664	0.423	0.515	0.601	0.509	0.596	0.576	0.530	0.660	0.604	0.596	0.619	0.670	0.619
Sphingomyeline C18:1	0.218	0.224	0.145	0.184	0.211	0.208	0.228	0.213	0.181	0.219	0.212	0.203	0.234	0.219	0.236
Sphingomyeline C20:2	0.004	0.006	0.005	0.009	0.009	0.002	0.006	0.000	0.003	0.007	0.006	0.007	0.008	0.006	0.006
Sphingomyeline C22:3	0.002	0.002	0.006	0.001	0.009	0.007	0.007	0.013	0.003	0.000	0.015	0.005	0.003	0.009	0.002
Sphingomyeline C24:0	0.652	0.677	0.447	0.490	0.565	0.521	0.593	0.571	0.539	0.633	0.555	0.604	0.640	0.630	0.579
Sphingomyeline C24:1	1.370	1.340	0.841	0.996	1.160	0.973	1.090	1.150	1.030	1.280	1.140	1.180	1.280	1.290	1.260
Sphingomyeline C26:0	0.008	0.002	0.005	0.012	0.005	0.000	0.012	0.008	0.008	0.013	0.002	0.012	0.005	0.008	0.010
Sphingomyeline C26:1	0.016	0.034	0.007	0.015	0.018	0.015	0.018	0.017	0.018	0.027	0.017	0.014	0.022	0.018	0.026
Hexose	21183.000	16871.000	16533.000	16008.000	16603.000	19925.000	19497.000	15960.000	16549.000	20538.000	19751.000	17259.000	15129.000	19609.000	18112.000
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG
Alanine	C00041
Arginine	C00062
Asparagine	C00152
Aspartic Acid	C00402
Citrulline	C00327
Glutamine	C00064
Glutamic Acid	C00025
Glycine	C00037
Histidine	C00135
Isoleucine	C00407
Leucine	C00123
Lysine	C00047
Methionine	C00073
Ornithine	C00077
Phenylalanine	C00079
Proline	C00148
Serine	C00065
Threonine	C00188
Tryptophan	C00078
Tyrosine	C00082
Valine	C00183
Ac-Orn
"NG,NG-Dimethyl-L-arginine"	C03626
alpha-aminoadipate	C00956
c4-OH-Pro
Carnosine	C00386
Creatinine	C00791
Levodopa	C00355
Dopamine	C03758
Histamine	C00388
Kynurenine	C00328
Methionine Sulfoxide	C02989
Nitrotyrosine
PEA
Putrescine	C00134
Sarcosine	C00213
Symmetric dimethylarginine	C21189
Serotonin	C00780
Spermidine	C00315
Spermine	C00750
Hydroxyproline	C01157
Taurine	C00245
DL-Carnitine	C00318
Acetyl-L-carnitine	C02571
Propionyl-L-carnitine	C03017
Malonyl-L-carnitine	C00318
Hydroxypropionyl-L-carnitine	C00318
Propenyl-L-carnitine	C00318
Butyryl-L-carnitine	C00318
Butenyl-L-carnitine	C00318
Valeryl-L-carnitine	C00318
Glutaryl-L-carnitine	C00318
Methylglutaryl-L-carnitine	C00318
C5-OH (C3-DC-M)
Tiglyl-L-carnitine	C00318
Glutaconyl-L-carnitine	C00318
Fumaryl-L-carnitine	C00318
Hexenoyl-L-carnitine	C00318
Pimelyl-L-carnitine	C00318
Octanoyl-L-carnitine	C00318
Nonayl-L-carnitine	C00318
Decanoyl-L-carnitine	C03299
Decenoyl-L-carnitine	C00318
Decadienyl-L-carnitine	C00318
Dodecanoyl-L-carnitine	C00318
Dodecanedioyl-L-carnitine	C00318
Dodecenoyl-L-carnitine	C00318
Tetradecanoyl-L-carnitine	C03299
Tetradecenoyl-L-carnitine	C00318
Hydroxytetradecenoyl-L-carnitine	C00318
Tetradecadienyl-L-carnitine	C00318
Hydroxytetradecadienyl-L-carnitine	C00318
Hexadecanoyl-L-carnitine	C00318
C16-OH
Hexadecenoyl-L-carnitine	C00318
Hydroxyhexadecenoyl-L-carnitine	C00318
Hexadecadienyl-L-carnitine	C00318
Hydroxyhexadecadienyl-L-carnitine	C00318
Octadecanoyl-L-carnitine	C00318
Octadecenoyl-L-carnitine	C00318
Hydroxyoctadecenoyl-L-carnitine	C00318
Octadecadienyl-L-carnitine	C00318
lysoPhosphatidylcholine acyl C14:0	C04230
lysoPhosphatidylcholine acyl C16:0	C04230
lysoPhosphatidylcholine acyl C16:1	C04230
lysoPhosphatidylcholine acyl C17:0	C04230
lysoPhosphatidylcholine acyl C18:0	C04230
lysoPhosphatidylcholine acyl C18:1	C04230
lysoPhosphatidylcholine acyl C18:2	C04230
lysoPhosphatidylcholine acyl C20:3	C04230
lysoPhosphatidylcholine acyl C20:4	C04230
lysoPhosphatidylcholine acyl C24:0	C04230
lysoPhosphatidylcholine acyl C26:0	C04230
lysoPhosphatidylcholine acyl C26:1	C04230
lysoPhosphatidylcholine acyl C28:0	C04230
lysoPhosphatidylcholine acyl C28:1	C04230
Phosphatidylcholine diacyl C 24:0	C00157
Phosphatidylcholine diacyl C26:0	C00157
Phosphatidylcholine diacyl C28:1	C00157
Phosphatidylcholine diacyl C30:0	C00157
Phosphatidylcholine diacyl C30:2	C00157
Phosphatidylcholine diacyl C32:0	C00157
Phosphatidylcholine diacyl C32:1	C00157
Phosphatidylcholine diacyl C32:2	C00157
Phosphatidylcholine diacyl C32:3	C00157
Phosphatidylcholine diacyl C34:1	C00157
Phosphatidylcholine diacyl C34:2	C00157
Phosphatidylcholine diacyl C34:3	C00157
Phosphatidylcholine diacyl C34:4	C00157
Phosphatidylcholine diacyl C36:0	C00157
Phosphatidylcholine diacyl C36:1	C00157
Phosphatidylcholine diacyl C36:2	C00157
Phosphatidylcholine diacyl C36:3	C00157
Phosphatidylcholine diacyl C36:4	C00157
Phosphatidylcholine diacyl C36:5	C00157
Phosphatidylcholine diacyl C36:6	C00157
Phosphatidylcholine diacyl C38:0	C00157
Phosphatidylcholine diacyl C38:1	C00157
Phosphatidylcholine diacyl C38:3	C00157
Phosphatidylcholine diacyl C38:4	C00157
Phosphatidylcholine diacyl C38:5	C00157
Phosphatidylcholine diacyl C38:6	C00157
Phosphatidylcholine diacyl C40:1	C00157
Phosphatidylcholine diacyl C40:2	C00157
Phosphatidylcholine diacyl C40:3	C00157
Phosphatidylcholine diacyl C40:4	C00157
Phosphatidylcholine diacyl C40:5	C00157
Phosphatidylcholine diacyl C40:6	C00157
Phosphatidylcholine diacyl C42:0	C00157
Phosphatidylcholine diacyl C42:1	C00157
Phosphatidylcholine diacyl C42:2	C00157
Phosphatidylcholine diacyl C42:4	C00157
Phosphatidylcholine diacyl C42:5	C00157
Phosphatidylcholine diacyl C42:6	C00157
Phosphatidylcholine acyl-alkyl C 30:0	C00157
Phosphatidylcholine acyl-alkyl C30:1	C00157
Phosphatidylcholine acyl-alkyl C30:2	C00157
Phosphatidylcholine acyl-alkyl C32:1	C00157
Phosphatidylcholine acyl-alkyl C32:2	C00157
Phosphatidylcholine acyl-alkyl C34:0	C00157
Phosphatidylcholine acyl-alkyl C34:1	C00157
Phosphatidylcholine acyl-alkyl C34:2	C00157
Phosphatidylcholine acyl-alkyl C34:3	C00157
Phosphatidylcholine acyl-alkyl C36:0	C00157
Phosphatidylcholine acyl-alkyl C36:1	C00157
Phosphatidylcholine acyl-alkyl C36:2	C00157
Phosphatidylcholine acyl-alkyl C36:3	C00157
Phosphatidylcholine acyl-alkyl C36:4	C00157
Phosphatidylcholine acyl-alkyl C36:5	C00157
Phosphatidylcholine acyl-alkyl C38:0	C00157
Phosphatidylcholine acyl-alkyl C38:1	C00157
Phosphatidylcholine acyl-alkyl C38:2	C00157
Phosphatidylcholine acyl-alkyl C38:3	C00157
Phosphatidylcholine acyl-alkyl C38:4	C00157
Phosphatidylcholine acyl-alkyl C38:5	C00157
Phosphatidylcholine acyl-alkyl C38:6	C00157
Phosphatidylcholine acyl-alkyl C40:1	C00157
Phosphatidylcholine acyl-alkyl C40:2	C00157
Phosphatidylcholine acyl-alkyl C40:3	C00157
Phosphatidylcholine acyl-alkyl C40:4	C00157
Phosphatidylcholine acyl-alkyl C40:5	C00157
Phosphatidylcholine acyl-alkyl C40:6	C00157
Phosphatidylcholine acyl-alkyl C42:0	C00157
Phosphatidylcholine acyl-alkyl C42:1	C00157
Phosphatidylcholine acyl-alkyl C42:2	C00157
Phosphatidylcholine acyl-alkyl C42:3	C00157
Phosphatidylcholine acyl-alkyl C42:4	C00157
Phosphatidylcholine acyl-alkyl C42:5	C00157
Phosphatidylcholine acyl-alkyl C44:3	C00157
Phosphatidylcholine acyl-alkyl C44:4	C00157
Phosphatidylcholine acyl-alkyl C44:5	C00157
Phosphatidylcholine acyl-alkyl C44:6	C00157
Hydroxysphingomyeline C 14:1	C00550
Hydroxysphingomyeline C16:1	C00550
Hydroxysphingomyeline C22:1	C00550
Hydroxysphingomyeline C22:2	C00550
Hydroxysphingomyeline C24:1	C00550
Sphingomyeline C16:0	C00550
Sphingomyeline C16:1	C00550
Sphingomyeline C18:0	C00550
Sphingomyeline C18:1	C00550
Sphingomyeline C20:2	C00550
Sphingomyeline C22:3	C00550
Sphingomyeline C24:0	C00550
Sphingomyeline C24:1	C00550
Sphingomyeline C26:0	C00550
Sphingomyeline C26:1	C00550
Hexose	C00738
METABOLITES_END
#END