#METABOLOMICS WORKBENCH juliehaines_20250530_100049 DATATRACK_ID:5974 STUDY_ID:ST003944 ANALYSIS_ID:AN006483 PROJECT_ID:PR002472
VERSION             	1
CREATED_ON             	June 5, 2025, 9:46 pm
#PROJECT
PR:PROJECT_TITLE                 	Androgen receptor and fatty acid oxidation cooperate in ferroptosis evasion in
PR:PROJECT_TITLE                 	BRAFi resistant melanoma
PR:PROJECT_SUMMARY               	Melanoma accounts for over 85% of all skin cancer deaths. Current therapies
PR:PROJECT_SUMMARY               	including drugs targeting BRAF and MEK significantly improve the prognosis of
PR:PROJECT_SUMMARY               	metastatic melanoma patients, yet innate or acquired resistance challenges
PR:PROJECT_SUMMARY               	long-term responses. We have shown previously that fatty acid beta-oxidation
PR:PROJECT_SUMMARY               	(FAO) is up-regulated during the acquisition of BRAF-inhibitor (BRAFi)
PR:PROJECT_SUMMARY               	resistance and that the FDA approved drug ranolazine, by targeting FAO
PR:PROJECT_SUMMARY               	attenuates the development of acquired resistance. However, how
PR:PROJECT_SUMMARY               	ranolazine-induced metabolic rewiring increases cell death is unclear. Here we
PR:PROJECT_SUMMARY               	identify ranolazine as a ferroptosis inducer in BRAFi-resistant melanoma, in
PR:PROJECT_SUMMARY               	which FAO serves as a ferroptosis surveillance mechanism. Accordingly, in
PR:PROJECT_SUMMARY               	progressed tumours of BRAFi treated patients up-regulation of FAO regulators
PR:PROJECT_SUMMARY               	correlates with increased expression of ferroptosis markers. BRAFi resistant
PR:PROJECT_SUMMARY               	cells are heavily poised for execution of ferroptosis; they display reduced
PR:PROJECT_SUMMARY               	glutathione levels, higher levels of long-chain polyunsaturated fatty acid
PR:PROJECT_SUMMARY               	(PUFA) membrane-incorporation, and increased membrane-resident phospholipid
PR:PROJECT_SUMMARY               	oxidation, all of which is amplified by ranolazine. Counteracting ranolazine
PR:PROJECT_SUMMARY               	action is MBOAT1/2 mediated phospholipid remodeling, which initiates reduced
PR:PROJECT_SUMMARY               	PUFA membrane-incorporation as ferroptosis surveillance mechanism. We show that
PR:PROJECT_SUMMARY               	the androgen receptor (AR), which is a determinant of BRAFi resistance, controls
PR:PROJECT_SUMMARY               	MBOAT1/2 expression, thereby contributing to ferroptosis resistance. In BRAFi
PR:PROJECT_SUMMARY               	resistant tumours and cell lines, we confirm AR upregulation predominantly in
PR:PROJECT_SUMMARY               	the MITFlow/AXLhigh undifferentiated/neural-crest like state, but it also occurs
PR:PROJECT_SUMMARY               	in the MITFhigh/AXLlow differentiated melanocytic state. The AR antagonist
PR:PROJECT_SUMMARY               	enzalutamide sensitizes AR expressing melanoma cells to RSL3 and erastin
PR:PROJECT_SUMMARY               	independent of phenotype state, but in FAOhigh BRAFi relapsed tumours AR
PR:PROJECT_SUMMARY               	up-regulation correlates with the undifferentiated/neural-crest like (UD/NC)
PR:PROJECT_SUMMARY               	state, and enzalutamide synergizes with ranolazine in ferroptosis-induction in
PR:PROJECT_SUMMARY               	UD/NC cells. Thus, therapeutically combining ranolazine with the AR inhibitor
PR:PROJECT_SUMMARY               	enzalutamide to induce ferroptosis can circumvent dedifferentiation related
PR:PROJECT_SUMMARY               	BRAFi resistance and could increase therapeutic activity and long-term efficacy.
PR:INSTITUTE                     	University of Colorado Denver
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Imanol Arozarena
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	The time-dependence of ranolazine effects on metabolism in A375 and A375-VR
ST:STUDY_TITLE                   	cells
ST:STUDY_SUMMARY                 	Metabolomics analysis was performed on A375 melanoma cells and A375 cells
ST:STUDY_SUMMARY                 	resistant to BRAF inhibitor vemurafenib (VR) +/- ranolazine sampled from 30 min
ST:STUDY_SUMMARY                 	to 24h.
ST:INSTITUTE                     	University of Colorado Denver
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Female
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	A375
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-1
SUBJECT_SAMPLE_FACTORS           	-	2	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-2
SUBJECT_SAMPLE_FACTORS           	-	3	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-3
SUBJECT_SAMPLE_FACTORS           	-	4	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-4
SUBJECT_SAMPLE_FACTORS           	-	5	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-5
SUBJECT_SAMPLE_FACTORS           	-	6	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-6
SUBJECT_SAMPLE_FACTORS           	-	7	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-7
SUBJECT_SAMPLE_FACTORS           	-	8	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-8
SUBJECT_SAMPLE_FACTORS           	-	9	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-9
SUBJECT_SAMPLE_FACTORS           	-	10	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-10
SUBJECT_SAMPLE_FACTORS           	-	11	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-11
SUBJECT_SAMPLE_FACTORS           	-	12	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-12
SUBJECT_SAMPLE_FACTORS           	-	13	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-13
SUBJECT_SAMPLE_FACTORS           	-	14	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-14
SUBJECT_SAMPLE_FACTORS           	-	15	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-15
SUBJECT_SAMPLE_FACTORS           	-	16	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-16
SUBJECT_SAMPLE_FACTORS           	-	17	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-17
SUBJECT_SAMPLE_FACTORS           	-	18	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-18
SUBJECT_SAMPLE_FACTORS           	-	19	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-19
SUBJECT_SAMPLE_FACTORS           	-	20	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-20
SUBJECT_SAMPLE_FACTORS           	-	21	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-21
SUBJECT_SAMPLE_FACTORS           	-	22	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-22
SUBJECT_SAMPLE_FACTORS           	-	23	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-23
SUBJECT_SAMPLE_FACTORS           	-	24	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-24
SUBJECT_SAMPLE_FACTORS           	-	25	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-25
SUBJECT_SAMPLE_FACTORS           	-	26	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-26
SUBJECT_SAMPLE_FACTORS           	-	27	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-27
SUBJECT_SAMPLE_FACTORS           	-	28	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-28
SUBJECT_SAMPLE_FACTORS           	-	29	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-29
SUBJECT_SAMPLE_FACTORS           	-	30	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-30
SUBJECT_SAMPLE_FACTORS           	-	31	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-31
SUBJECT_SAMPLE_FACTORS           	-	32	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-32
SUBJECT_SAMPLE_FACTORS           	-	33	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-33
SUBJECT_SAMPLE_FACTORS           	-	34	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-34
SUBJECT_SAMPLE_FACTORS           	-	35	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-35
SUBJECT_SAMPLE_FACTORS           	-	36	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-36
SUBJECT_SAMPLE_FACTORS           	-	37	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-37
SUBJECT_SAMPLE_FACTORS           	-	38	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-38
SUBJECT_SAMPLE_FACTORS           	-	39	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-39
SUBJECT_SAMPLE_FACTORS           	-	40	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-40
SUBJECT_SAMPLE_FACTORS           	-	41	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-41
SUBJECT_SAMPLE_FACTORS           	-	42	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-42
SUBJECT_SAMPLE_FACTORS           	-	43	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-43
SUBJECT_SAMPLE_FACTORS           	-	44	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-44
SUBJECT_SAMPLE_FACTORS           	-	45	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-45
SUBJECT_SAMPLE_FACTORS           	-	46	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-46
SUBJECT_SAMPLE_FACTORS           	-	47	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-47
SUBJECT_SAMPLE_FACTORS           	-	48	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-48
SUBJECT_SAMPLE_FACTORS           	-	49	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-49
SUBJECT_SAMPLE_FACTORS           	-	50	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-50
SUBJECT_SAMPLE_FACTORS           	-	51	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-51
SUBJECT_SAMPLE_FACTORS           	-	52	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-52
SUBJECT_SAMPLE_FACTORS           	-	53	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-53
SUBJECT_SAMPLE_FACTORS           	-	54	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-54
SUBJECT_SAMPLE_FACTORS           	-	55	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-55
SUBJECT_SAMPLE_FACTORS           	-	56	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-56
SUBJECT_SAMPLE_FACTORS           	-	57	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-57
SUBJECT_SAMPLE_FACTORS           	-	58	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-58
SUBJECT_SAMPLE_FACTORS           	-	59	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-59
SUBJECT_SAMPLE_FACTORS           	-	60	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-60
SUBJECT_SAMPLE_FACTORS           	-	61	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-61
SUBJECT_SAMPLE_FACTORS           	-	62	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-62
SUBJECT_SAMPLE_FACTORS           	-	63	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-63
SUBJECT_SAMPLE_FACTORS           	-	64	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-64
SUBJECT_SAMPLE_FACTORS           	-	65	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-65
SUBJECT_SAMPLE_FACTORS           	-	66	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-66
SUBJECT_SAMPLE_FACTORS           	-	67	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-67
SUBJECT_SAMPLE_FACTORS           	-	68	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-68
SUBJECT_SAMPLE_FACTORS           	-	69	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-69
SUBJECT_SAMPLE_FACTORS           	-	70	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-70
SUBJECT_SAMPLE_FACTORS           	-	71	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-71
SUBJECT_SAMPLE_FACTORS           	-	72	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-72
SUBJECT_SAMPLE_FACTORS           	-	73	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-73
SUBJECT_SAMPLE_FACTORS           	-	74	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-74
SUBJECT_SAMPLE_FACTORS           	-	75	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-75
SUBJECT_SAMPLE_FACTORS           	-	76	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-76
SUBJECT_SAMPLE_FACTORS           	-	77	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-77
SUBJECT_SAMPLE_FACTORS           	-	78	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-78
SUBJECT_SAMPLE_FACTORS           	-	79	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-79
SUBJECT_SAMPLE_FACTORS           	-	80	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-80
SUBJECT_SAMPLE_FACTORS           	-	81	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-81
SUBJECT_SAMPLE_FACTORS           	-	82	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-82
SUBJECT_SAMPLE_FACTORS           	-	83	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-83
SUBJECT_SAMPLE_FACTORS           	-	84	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-84
SUBJECT_SAMPLE_FACTORS           	-	85	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-85
SUBJECT_SAMPLE_FACTORS           	-	86	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-86
SUBJECT_SAMPLE_FACTORS           	-	87	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-87
SUBJECT_SAMPLE_FACTORS           	-	88	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-88
SUBJECT_SAMPLE_FACTORS           	-	89	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-89
SUBJECT_SAMPLE_FACTORS           	-	90	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-90
SUBJECT_SAMPLE_FACTORS           	-	91	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-91
SUBJECT_SAMPLE_FACTORS           	-	92	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-92
SUBJECT_SAMPLE_FACTORS           	-	93	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-93
SUBJECT_SAMPLE_FACTORS           	-	94	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-94
SUBJECT_SAMPLE_FACTORS           	-	95	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-95
SUBJECT_SAMPLE_FACTORS           	-	96	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-96
SUBJECT_SAMPLE_FACTORS           	-	97	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-97
SUBJECT_SAMPLE_FACTORS           	-	98	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-98
SUBJECT_SAMPLE_FACTORS           	-	99	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-99
SUBJECT_SAMPLE_FACTORS           	-	100	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-100
SUBJECT_SAMPLE_FACTORS           	-	101	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-101
SUBJECT_SAMPLE_FACTORS           	-	102	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-102
SUBJECT_SAMPLE_FACTORS           	-	103	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-103
SUBJECT_SAMPLE_FACTORS           	-	104	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-104
SUBJECT_SAMPLE_FACTORS           	-	105	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-105
SUBJECT_SAMPLE_FACTORS           	-	106	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-106
SUBJECT_SAMPLE_FACTORS           	-	107	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-107
SUBJECT_SAMPLE_FACTORS           	-	108	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-108
SUBJECT_SAMPLE_FACTORS           	-	109	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-109
SUBJECT_SAMPLE_FACTORS           	-	110	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-110
SUBJECT_SAMPLE_FACTORS           	-	111	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-111
SUBJECT_SAMPLE_FACTORS           	-	112	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-112
SUBJECT_SAMPLE_FACTORS           	-	113	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-113
SUBJECT_SAMPLE_FACTORS           	-	114	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-114
SUBJECT_SAMPLE_FACTORS           	-	115	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-115
SUBJECT_SAMPLE_FACTORS           	-	116	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-116
SUBJECT_SAMPLE_FACTORS           	-	117	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-117
SUBJECT_SAMPLE_FACTORS           	-	118	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-118
SUBJECT_SAMPLE_FACTORS           	-	119	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-119
SUBJECT_SAMPLE_FACTORS           	-	120	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-120
SUBJECT_SAMPLE_FACTORS           	-	121	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-121
SUBJECT_SAMPLE_FACTORS           	-	122	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-122
SUBJECT_SAMPLE_FACTORS           	-	123	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-123
SUBJECT_SAMPLE_FACTORS           	-	124	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-124
SUBJECT_SAMPLE_FACTORS           	-	125	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-125
SUBJECT_SAMPLE_FACTORS           	-	126	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-126
SUBJECT_SAMPLE_FACTORS           	-	127	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-127
SUBJECT_SAMPLE_FACTORS           	-	128	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	RAW_FILE_NAME(Raw file name)=AA32M-128
#COLLECTION
CO:COLLECTION_SUMMARY            	All cell lines had been authenticated in 2021. Cells were expanded to generate
CO:COLLECTION_SUMMARY            	enough vials from a single batch before the start of the study. Cell lines were
CO:COLLECTION_SUMMARY            	cultured in Dulbecco’s Eagle’s Medium (DMEM) (cat#61965026, Gibco)
CO:COLLECTION_SUMMARY            	supplemented with 10% fetal bovine serum (cat#10500064, Gibco) plus 1%
CO:COLLECTION_SUMMARY            	penicillin/streptomycin (cat#15140122, Gibco). Cells were grown at 37°C in a 5%
CO:COLLECTION_SUMMARY            	CO2 environment.
CO:SAMPLE_TYPE                   	Melanoma cells
#TREATMENT
TR:TREATMENT_SUMMARY             	A375 melanoma cells were from ATCC. All cell lines had been authenticated at the
TR:TREATMENT_SUMMARY             	time stocks were made and thawed. Cells were then expanded to generate enough
TR:TREATMENT_SUMMARY             	vials from a single batch before the start of experiments. A375 cells were
TR:TREATMENT_SUMMARY             	cultured in Dulbecco’s Eagle’s Medium (DMEM) (cat#61965026, Gibco)
TR:TREATMENT_SUMMARY             	supplemented with 10% fetal bovine serum (cat#10500064, Gibco) plus 1%
TR:TREATMENT_SUMMARY             	penicillin/streptomycin (cat#15140122, Gibco) and were grown at 37°C in a 5%
TR:TREATMENT_SUMMARY             	CO2 environment. Ranolazine (cat#HY-17401) was from MedChemExpress. For the
TR:TREATMENT_SUMMARY             	short-term treatment (time course) A375VR cells were treated with DMSO vehicle
TR:TREATMENT_SUMMARY             	or 100 µM RANO for 0.5, 1, 2, 4, 8, and 24h and then cells were collected,
TR:TREATMENT_SUMMARY             	washed three times with cold PBS, centrifuged, and cell pellets frozen.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen cell pellets were extracted with cold 5:3:2
SP:SAMPLEPREP_SUMMARY            	MeOH:acetonitrile:water at a concentration of 2 million cells/mL. Samples were
SP:SAMPLEPREP_SUMMARY            	vortexed 30 min at 4 degrees C then supernatants clarified by centrifugation (10
SP:SAMPLEPREP_SUMMARY            	min, 10,000 g, 4 degrees C) and transferred to autosampler vials.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 1 mM ammonium acetate
CH:SOLVENT_B                     	95% acetonitrile/5% water; 1 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min
CH:FLOW_GRADIENT                 	100-0% B, 3-5 min hold at 0% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	We use a Thermo Orbitrap Exploris 120 (not available in the drop down box).
MS:MS_COMMENTS                   	Resolution 120,000, scan range 65-975 m/z, maximum injection time 100 ms,
MS:MS_COMMENTS                   	microscans 1, automatic gain control (AGC) detection duration 20 msec, source
MS:MS_COMMENTS                   	voltage 2.0 kV, capillary temperature 320 C, vaporizer temp 200 C, and sheath
MS:MS_COMMENTS                   	gas 50, auxiliary gas 10, and sweep gas 1 (all nitrogen). Data converted to
MS:MS_COMMENTS                   	mzXML using RawConverter. Metabolites were annotated and integrated using Maven
MS:MS_COMMENTS                   	in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	21	22	23	24	25	26	27	28	29	30	31	32	33	34	35	36	37	38	39	40	41	42	43	44	45	46	47	48	49	50	51	52	53	54	55	56	57	58	59	60	61	62	63	64	65	66	67	68	69	70	71	72	73	74	75	76	77	78	79	80	81	82	83	84	85	86	87	88	89	90	91	92	93	94	95	96	97	98	99	100	101	102	103	104	105	106	107	108	109	110	111	112	113	114	115	116	117	118	119	120	121	122	123	124	125	126	127	128
Factors	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375 | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):0.5 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):1 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):2 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):4 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):8 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:DMSO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells	Cell line:A375-VR | Treatment:+RANO | Time (h):24 | Sample source:Cancer Cells
L-aspartate	1743493	2468311	3003156	2412433	3301322	3710929	2464321	3076928	5003049	3143195	4191425	3299147	3345359	3550257	2878177	2987695	2537590	2659479	3500883	3578484	3561570	2351507	2456213	2987009	3415356	3609369	3189263	3009398	2900866	2810657	3808059	4205207	3085388	3101758	2760697	2751829	2460012	2629860	1873058	2528161	3324939	4189361	3229279	2501948	2934444	3061186	2720863	2613718	2936063	5548187	5482494	4449032	4664451	5296750	5206405	5737451	4907150	3898334	4856304	4526858	4010577	5267578	4125730	4090804	1639299	1630510	1279129	1766226	2612070	1771073	2874727	3024121	1075313	1458020	1569349	1203382	1268374	972195	1808924	1419400	1495885	2335766	1742216	1613857	1704552	859915	1854284	1339169	2389495	2707708	2375301	2820446	3123576	2759303	2567015	3169443	1259920	1984594	1708496	1753621	1533357	1709290	1410188	1890636	1743500	1869742	1703887	1915880	1944860	1757784	2189000	2070592	1860567	1499779	1558978	1304905	1527397	1813513	1512630	1808681	1410442	1836546	1227558	1686868	1881214	2082254	1697965	2992426
L-histidine	175277	176340	279412	192548	307706	500609	190978	265095	523348	243573	293997	240911	209986	189936	196930	190117	251903	266294	267237	263998	193685	183636	210443	210277	375112	254159	264553	237160	284027	256618	237219	410772	276634	266632	233650	308457	278618	216592	230469	224720	329763	325648	335614	194592	278615	218872	175772	321077	376344	1140102	703345	820919	571630	733339	653025	687412	467760	539654	712154	566794	594187	711314	386180	497742	162968	209384	155585	188822	251467	190232	285190	386152	75535	140613	107217	95590	98714	69257	70897	76098	110027	121987	155202	123282	143523	80628	130349	95994	192592	223470	171827	281975	276019	282758	277821	252022	144677	232866	208696	137876	127903	281605	128508	161962	131539	170879	191590	181201	163699	231515	124993	196517	129991	189283	85071	84104	123588	111661	100484	73317	224819	122975	191489	174445	110129	170579	105422	213404
L-leucine/isoleucine	1670712	2905267	3456324	2246934	4025556	3244445	2950476	3998372	4889940	2916198	3993176	2976031	3071255	2673751	2560863	3060005	3706169	3054602	3539589	3378039	3464954	2024368	1964988	2722311	4388938	3606479	3279405	3817176	3924604	3501982	3930654	4454183	3404723	3051189	4020138	3725218	3231657	2948615	2596135	3064325	4110351	4788792	4181220	2871569	2790023	3600087	3471270	3320098	4713197	7906536	7825371	7442863	5762845	7430886	6422580	7705704	6783836	5212390	5792174	7403166	5585800	7897644	6327936	5739086	2160306	2044841	1712385	2669119	2931478	2387371	2888903	3408806	1304342	1391470	1574390	1180591	1479213	1200718	1305539	1620683	2001285	1866068	1767511	1831550	1482025	1223250	1803278	1808463	3024911	3269914	2776769	3651224	3535255	2975863	3316390	4295384	1459590	2286504	1988017	1528207	1569081	1808942	1532146	1673714	1944202	2438262	2019769	1974788	1773393	2569071	2019272	2072025	1576522	1552701	1752069	1399236	1620094	1357076	1563222	1159482	1771440	2308143	1485378	1832499	1829565	2213029	1696592	2767461
L-phenylalanine	429253	788107	1098467	584193	1239346	1344713	790759	1372460	1348684	1043767	1058974	944102	1042609	901409	729464	784924	945537	880120	1088143	1165623	1064425	523414	706861	714643	1619070	1203773	1297531	1318026	1139954	1036483	959597	1510586	959286	959626	1180426	897022	774427	659652	759851	1067806	1288183	1496250	1466708	763689	1167908	1155972	1003300	1038174	1314461	3241501	2169723	2616462	2229965	2658003	2355109	2287815	2575390	2053985	2252574	2388458	1876663	3065912	1134097	1839468	803161	849576	710198	933491	1182189	979504	1224435	1551590	359667	441579	459551	421014	437413	412226	524144	402976	601992	699184	663695	583357	562794	386504	588531	572881	938272	871637	956720	1361597	996371	1342204	1137929	1208682	546430	727719	599144	522741	521862	619958	527072	696981	654660	756940	585884	731055	830837	1033977	737234	850699	698420	584320	357387	426585	336138	524173	404359	402392	382855	583903	402237	526899	758244	712888	659261	720822
L-proline	117563	154733	183123	60151	169196	244466	189657	212877	347776	222661	302987	232838	216031	117880	85717	169280	112283	88468	217594	270805	219088	92460	68203	126180	208027	170410	166053	204850	201088	199004	193601	227047	236199	201910	147585	224513	85680	162184	136327	131216	215215	268891	345582	232732	143361	232347	188088	210599	405019	805146	501541	643244	397150	526927	469269	543298	669011	472947	545185	582901	431810	720099	456820	313047	359156	325268	284927	263933	472855	410897	611078	649610	129043	156548	179100	144185	96985	62543	126203	173173	208242	327216	296675	159949	192991	70618	213080	136677	366575	503672	521430	452035	399019	553412	438033	562480	137730	236071	217893	298904	215610	388496	272466	240414	261801	337470	285241	294287	367787	292043	320005	463860	249960	214040	160709	124163	128618	154747	151319	109699	142761	268556	156782	268710	206492	245391	265193	400021
L-serine	27047	54890	107471	23913	136471	103738	29986	94832	229059	74935	166733	115639	55615	59832	36998	32870	39092	48154	89352	158899	62476	41169	22700	60996	154826	94419	81143	96826	93210	64363	134473	68195	96791	36486	60641	66197	27249	80414	23079	47362	105907	91718	124306	58482	59563	33277	85430	105884	67481	685540	124183	169149	119077	143093	101802	139474	161563	81362	77395	183823	111286	172965	152439	64500	49264	22725	46182	76108	120685	119688	189984	191235	18241	56744	40772	26601	16289	21181	33022	66205	39033	125505	18648	41618	68963	18768	74713	39989	49002	80096	134096	112578	148102	152287	141030	166028	38512	79170	38783	63271	20893	32416	15197	51337	27851	87459	28950	27543	89544	35729	30350	69699	26994	23355	0	24496	0	17193	24494	19800	25108	46295	0	26967	48042	0	15662	55261
L-threonine	193466	303703	322497	110088	569629	523663	242709	408227	756936	465327	731531	381721	375750	316642	204850	259188	262571	214615	285325	382731	345379	196260	189107	254308	529507	372790	329861	330518	417056	336493	412858	552134	379941	291496	341958	450129	288871	312511	311672	339739	414561	520088	410898	242721	297974	382756	352823	320952	357806	840221	831657	700235	616471	839117	528335	707003	713378	534923	542186	640770	520092	888130	521406	466344	177132	359200	175599	288439	543777	370279	564930	761478	90483	131559	141332	118370	118795	81524	165732	159560	167891	383822	125378	203339	127977	57750	195540	167580	350133	462853	439754	671276	676762	665984	444659	689526	137664	361222	215652	300074	184285	256692	169797	259111	204214	357207	188143	251017	329510	282970	231702	283378	146950	125825	67401	31123	84638	88358	118092	86742	100293	100976	89691	131183	212003	198545	108094	256182
L-valine	723065	1221498	1387717	1155029	1960984	1501140	1418406	1874815	2180239	1392611	1848554	1369333	1373820	1169974	1314061	1077096	1798172	1560218	1643430	1497690	1560217	978075	1153702	1261477	2177885	1867080	1492163	1971815	1785835	1774288	1698773	1808840	1551542	1537069	1930069	1430053	1233551	1538132	1347607	1616688	2013912	2060891	1933365	1341311	1328045	1710419	1624583	1401291	2498315	4459102	3039942	3016956	2961623	3980646	3464544	3099939	3557917	2851825	3035099	3575133	3145661	4140593	3431953	2958154	922222	953028	775090	1186422	1310986	1081993	1325850	1528629	635696	629127	717539	569704	678323	586967	631960	572313	775192	860149	787787	847157	746577	586336	821007	821383	1299731	1572684	1282270	1507579	1504828	1327975	1542397	1874285	770458	806354	929594	610163	822489	940884	779135	717202	915116	874080	892307	727709	908233	1082596	1058612	914084	844121	762068	608716	608124	810604	661354	848099	637630	993876	830033	819754	1036400	785565	917801	808085	1156004
ATP	715833	1867034	2788950	809910	3385199	3008279	1225019	2198781	3406356	3404947	3164794	3130235	2941505	1384676	1277009	1296624	1267788	968169	1612173	2443220	2139349	862058	796299	1145298	2681440	1704937	1573110	1651849	1732088	2100088	1850013	2686125	1439363	1226756	1116200	1650390	739356	713923	1146102	956303	1978102	2339245	2995473	1259236	1240767	1842773	1363294	510321	1412328	2837886	2549898	3519930	2261082	2472899	2344303	2424466	3175059	1295977	2431325	2758881	1913094	4135071	2282353	1889182	1172844	1567273	1209285	1362737	1582097	1479734	1672575	1498187	576296	795654	919747	814548	677475	402568	955626	924870	1197162	890943	986136	859800	881118	328095	208841	836469	2284128	1747846	1875233	2262183	1518501	1846870	1782805	2613786	678785	271359	644506	658625	811571	580954	509088	514796	1064737	1081302	1364617	827213	1867829	1411267	1151030	849788	720988	873701	394617	285626	241488	968542	532559	841688	691869	963780	484142	747217	936895	1458584	1132417	1766187
ADP	379448	714197	1126329	589653	1643188	1415715	679081	961725	1824349	1324980	1855746	1291685	1220058	855860	696910	623656	826585	749223	660036	1127625	879841	494691	515104	680360	1016324	736049	734176	830563	676727	855893	1003328	1058832	559803	493103	496160	714983	440006	434509	514016	572713	806001	1157055	1202027	550959	478533	789542	522420	253378	1023747	1295114	1327898	1600045	1045026	1372348	1122631	1204867	1501641	749937	1000140	1313709	1208774	2110588	1345498	1286318	521365	742697	542846	905745	1138564	796328	1014544	1159088	207355	340453	448503	457931	363447	197153	525347	390596	425092	727662	549687	378781	370833	255758	119955	333273	1030842	866550	989846	1314210	936339	1267636	1176747	1842008	290003	169965	294350	316346	392706	385975	247338	327020	498481	515920	607657	557898	874762	681509	598446	518565	303111	383510	160741	195261	139485	434220	211926	316210	409538	498752	227827	400523	558157	647698	423847	897572
Adenine	35512	52240	59193	25492	74965	74311	34643	54041	79708	65438	89387	43996	30794	42881	36577	50132	52791	43501	44706	71011	60391	32493	23394	34090	57178	50636	67180	66660	57995	61819	56426	66895	46299	55569	56876	68046	51213	28665	51335	55515	66992	80379	69521	37029	40663	55844	48929	42120	67306	108762	136957	123030	73275	121120	101069	113594	108251	65036	77932	101363	90564	107546	92089	61806	56246	51789	43189	67778	61427	64807	68212	83732	19363	27781	29624	30032	33528	16423	38065	26392	34200	32137	32256	30259	35891	16172	43257	30278	52863	46057	42372	63273	50333	62026	55188	71415	43572	44564	49759	57829	53008	62738	47424	48783	19009	63640	70670	65458	55492	55697	61153	58086	43930	39673	23684	17154	24267	38772	31933	31932	30002	49205	31303	51759	48625	54346	59035	70451
GTP	33569	348626	397552	491700	267124	227970	431790	326247	223127	356234	172881	462017	480243	515071	459581	467787	551351	443147	450896	418398	295748	474725	454571	497695	249109	420580	427620	474069	456647	326597	265896	194226	321948	301373	328002	148849	294847	341062	144666	306484	311914	114735	417435	233095	297003	186832	169276	24190	421591	288217	199971	310695	305535	351597	426341	403930	316583	367905	437010	393233	607798	298013	523688	730758	57905	115138	141416	71123	79977	96833	69065	69219	117816	90118	85712	26003	126564	123854	67904	72335	142419	18185	80020	110135	99409	224672	0	85344	182585	101498	104363	111021	67103	103196	105444	136452	30851	0	27751	18295	55820	26815	21837	15603	59850	49937	32802	69177	159131	106917	44873	41662	44043	60122	129083	230804	177461	189227	167691	199633	332208	156029	254780	179622	197014	237241	92292	58313
GDP	115224	291110	374412	383033	314932	252450	348357	318971	272951	292855	204040	385081	500200	578554	508580	374596	403385	458094	360262	402783	296204	383249	444687	488390	257992	440933	391453	455124	363753	356734	224160	209640	233585	199319	256415	211433	243350	313880	139361	270536	248521	241490	321110	197046	257967	265012	177220	71605	424474	301010	246568	351445	267940	361823	438489	357048	311918	343715	435268	427763	584253	423471	581661	676895	235723	127085	231219	226717	251529	223368	140681	235469	152095	119388	175601	149689	167828	156268	107912	75685	160772	137237	139943	131289	154034	173233	51342	178334	217410	174718	115628	202161	151861	148276	160141	292960	160173	45142	83198	40651	100660	91358	26692	54503	137270	129327	123291	91851	207181	175757	90227	71569	138963	173799	196111	217231	172433	256726	181839	250286	328459	177802	205892	211216	173229	213981	143222	215553
CTP	102255	507285	574089	646512	513557	356016	624131	496458	383072	525617	322454	574913	762641	792328	699627	584413	778919	691880	710500	623140	546601	731724	689241	928416	471493	648608	734811	781269	718134	570183	413547	447336	521839	541023	577694	333119	524146	574431	277493	459343	437116	366280	580246	355324	495254	373854	264386	69461	626669	405792	443405	552840	631457	595731	750206	749595	581697	706439	769937	743003	962893	518563	850041	1147723	107762	180974	221887	155224	88759	113147	128047	94030	187294	125339	101087	99427	117961	198167	115853	112286	170009	54361	101531	72248	106253	210237	8510	111619	255212	134320	155411	159803	129651	130494	148577	163881	69718	31322	55323	57471	99173	36412	49198	39493	103122	75286	106543	85960	174762	79972	69706	28928	81869	108313	255635	310828	276811	155951	160102	273079	411496	220376	268805	225264	228066	320518	151429	133124
CDP	126232	595413	621936	571689	551023	463853	625609	528681	447274	555739	368770	716524	859230	788764	742239	708281	824243	801541	720148	720843	612567	621287	677856	864222	434017	693896	765695	792375	685138	602400	506844	372335	481714	493341	572641	372565	501896	584330	278482	559703	462852	421946	624185	353457	434514	421430	325072	104191	760404	545488	548238	617019	637300	689552	809133	918780	637248	815135	755296	733201	961570	652075	1013844	1113585	262041	216691	283940	247208	281718	227905	206669	290828	213078	187737	207320	154608	167832	200362	141908	165385	188354	170102	188810	170621	161011	223703	113465	152446	353028	205624	219155	272640	187627	199737	270024	327657	105577	65914	105986	97653	105713	118675	102320	94175	189327	130489	123566	116595	201477	166181	132709	96899	147598	132922	223057	293519	223866	212475	248084	259247	410542	227052	240208	293322	206932	304915	176290	190710
dCMP	1661	8067	7517	3889	8500	4230	10501	8336	8055	12505	7799	7221	11101	10071	7566	8056	12782	12704	11312	5921	10000	7752	9852	9863	9405	11477	10514	11814	14527	8896	11864	9819	8951	8761	12435	5385	10910	8980	5802	9802	11029	11444	19440	7337	9836	10085	8554	3629	14992	24065	14693	18680	17106	19385	19993	17766	18499	15721	15921	15413	18234	14195	16470	16000	3980	4172	5810	7649	8105	3545	7703	3684	3557	6343	4400	4355	2164	2929	3769	5090	2471	3610	5389	6216	2906	4127	1110	3164	4424	8794	9541	10626	7057	8827	9976	11904	3461	1234	1950	1192	3632	2252	2874	2885	6171	2019	3961	2988	6795	6282	5829	5471	1692	1426	2725	3946	5432	1576	6102	2620	2368	8190	1488	6794	4247	5741	3151	5216
Cytidine	95662	63632	92965	32632	213008	199031	88031	143539	284140	164948	331526	173564	74789	60852	47851	101127	78510	66304	134737	212090	132655	29209	35262	55598	182805	112842	117949	81877	170388	105475	134536	117413	119531	82167	128235	113539	38458	60222	85050	77841	160224	190899	167362	75085	60451	149087	139525	120914	87499	332212	235898	281876	248606	253701	218785	227506	289137	136815	212738	301670	166020	338645	169586	96346	88908	123195	31898	141891	225185	139654	270885	317786	32212	31674	29949	60361	19513	26358	62169	83977	32234	173250	91466	60865	63237	0	134106	33704	112048	192084	228882	280712	281001	303236	257821	298447	43921	99062	82122	147676	146294	148053	93185	120092	67867	130276	40501	156269	115754	132861	151969	179600	23981	35196	35696	0	14936	64420	15575	15707	40084	52202	73454	55719	74956	23838	52558	78019
UTP	596637	2096478	2576016	2448433	2261014	1829439	2553377	2338605	1784539	2489896	1486085	2737337	2997597	3523354	3060504	2708020	3086919	3056400	2931505	2661000	2534781	3072177	2735566	3584944	2164646	3136851	2644796	3161353	2936477	2286285	2060470	2130980	2124599	2050866	2214226	1325124	2306364	2462230	1156999	1825807	2326364	1603048	2670528	1710515	2596928	1728991	1420265	466826	3096599	2568249	2379509	3017673	3214948	3147685	3787400	3936721	2822573	3416011	3542093	3352213	4169402	2851902	3524002	5236774	601547	749862	1071921	666113	559017	545592	637734	544345	882563	521387	553057	477987	639128	949547	530243	575907	719988	277196	514402	682146	583502	977872	127705	580701	1049643	651585	723108	722361	577076	631328	716162	877747	419048	129631	395327	227946	424401	239611	233519	217034	427861	437635	580403	402865	774927	643656	502949	385571	373596	571788	894275	1104125	1000296	984279	935441	1027884	1593715	991771	1182417	990553	1083859	1258527	664650	557939
UDP	668809	2184561	2698796	2420875	2598176	2522808	2661449	2659976	2544545	2636778	1913690	3056571	3524101	3292744	3249341	2953495	3136151	2843106	3077423	2987753	2680213	2859125	2434141	3755938	2545786	3038301	2877201	3175364	2801231	2625725	2182260	2252457	2001353	2174233	2434810	1778767	2187257	2288408	1268805	2079328	2237074	2175761	2825375	1566707	2498347	2047787	1656025	721851	3326388	3125960	3034643	3543938	3587698	3777985	4029877	4081041	3564843	3974710	4233098	4142285	4250076	3727806	4616690	5424847	1247628	1192598	1481862	1278027	1383732	1227836	1329793	1419371	1082396	879961	957606	784285	967290	906194	858754	867656	1098436	895140	882411	890588	1000859	1042298	498701	881462	1838936	1144670	1347025	1561354	1264079	1177784	1398635	1831105	577898	417202	723669	563431	659034	505200	508805	610650	833181	766362	781090	699624	1038860	1043327	823288	684393	812399	966544	1022937	1125700	1049780	1299819	1139738	1267149	1866976	1189630	1508424	1389385	1357545	1581634	935505	1131275
UMP	22362	62149	90314	83445	81273	92425	75952	77624	76647	72889	79507	85861	106643	95653	89877	94590	90185	91451	106488	100614	97281	68963	52703	88464	67339	94636	88385	87499	64051	83149	84769	101613	74816	71584	106199	68232	73076	77824	56102	72383	76839	78493	104507	51327	50189	73778	74930	41873	112904	74414	120508	169770	129920	144414	133417	139455	121641	120740	154908	158513	105321	169433	114335	126098	70708	69323	57899	53186	95266	87983	82269	119798	23479	59748	49020	63409	28947	41355	50396	62623	28931	128229	66052	43047	60048	55703	33485	30802	83584	88163	36002	35175	83368	84251	90648	84891	40078	99773	57483	73695	45109	49205	38153	51325	52204	58230	51290	62158	58214	78242	56004	77702	41473	74110	52646	65703	36821	94878	63143	51911	88280	77418	84119	67077	104612	85090	71713	76538
Uracil	60544	73530	95958	50958	91249	86829	89004	97431	98868	101558	122526	107860	102862	84877	99791	73424	86702	65516	68905	87283	81701	69843	61356	91152	36065	88822	80539	94492	36495	93056	100579	73810	77732	90522	63961	64152	81387	115383	45207	55443	60984	92987	93030	70518	54658	76677	40723	62890	109750	122498	111600	127601	65638	93848	109865	95647	119504	128443	132441	117235	45717	131163	131680	128645	62844	64756	74370	72716	97183	58357	85536	93924	54766	38244	39006	36836	39159	42825	84981	50652	57229	58796	48411	44106	32439	56379	30261	49908	84365	79233	71267	103115	64512	81410	84993	112730	22852	39209	48177	51745	39277	62605	33448	46615	23331	69788	34274	45720	56429	55919	72961	63718	66498	84631	63771	46957	64055	52037	54393	68448	52697	67058	54717	62465	69216	33622	77185	80167
Allantoate	690624	894906	1233952	690032	1470915	1191089	859504	1266244	1558286	1298019	1467011	1016406	1080861	1367405	988834	885104	1265189	1132611	1453489	1740894	1613344	736192	777654	1134552	1456744	1295086	1443211	1219553	1423953	1059274	1736376	1678311	1434629	1503762	1035638	1183017	1020221	1280116	985938	922447	1442728	1462715	1211108	1037459	1177371	1209317	1338607	1030836	922278	1509651	1946999	1673686	1399011	1839005	2084877	1855513	1606134	1533103	1531182	1688922	1370274	1778350	680216	1027265	614407	864148	655416	718747	996804	809760	982574	1051426	335583	462188	410537	457495	388075	320929	540494	604658	522936	567350	542960	590795	559166	247887	426874	376721	821094	1083679	917081	1159330	1061717	1069936	761919	1085617	538312	654623	398321	754948	576548	504058	509739	510899	581220	654517	681386	571667	754922	743372	625534	678405	497345	500673	403716	377884	394040	485820	375993	358443	456955	711139	457645	558444	583697	505788	413638	925513
UDP-glucose	894704	1821044	2553874	1777590	2512222	3074417	1947083	2377181	3182489	2305020	2283811	2318015	2658808	2734198	2178819	2343424	2533799	2194565	2482083	2728946	2186151	2494124	1754003	2815657	4269535	3573259	2865468	3297000	2722404	2792567	2813403	4576519	2271587	2171977	2716019	2396723	2108258	2094480	1174077	2107214	2181731	2552795	2389085	1299745	2775041	2269739	1910221	2005637	3300026	4157066	4144893	5514268	5314341	4522914	4254755	4486545	3993600	4509184	5195894	4363542	3578652	5100802	3905771	4446083	2252684	2105718	2562989	2499044	3170091	2278446	3115276	3618567	1516735	1899420	1746715	1942245	1891240	1617048	2156137	2242283	2178392	1927289	1886526	1726775	2134804	1447073	2582501	1840171	2436556	2550954	2213917	2319914	3332100	2838915	2377892	2747426	1425740	2053985	2045510	1705256	1623895	1849618	1581492	2145757	1550750	1703006	1922344	2097194	1776591	2637833	2168318	2246871	2654279	2484966	1584351	1252316	1638061	2348440	1696031	2166077	1948161	1875495	2139269	1840190	2422311	2440791	1735141	2857346
Flavin mononucleotide	8053	16019	14124	22712	15717	17154	20673	18908	19221	20168	14769	16975	24052	26955	23564	21667	34109	22805	25919	24556	21352	25000	20450	22243	25413	22287	28497	24899	19200	19892	20114	22428	17755	19845	19817	19488	19843	27206	11129	22439	15143	26855	17471	14623	18368	15996	15746	12043	40049	40831	44026	45468	41713	47429	43480	48527	31980	40966	49337	53321	38683	49696	48336	45282	8818	7170	6088	7611	8320	9034	6701	10235	5577	4874	3945	3302	10300	5056	7656	5283	3784	4794	3748	9230	8616	3387	6027	7338	7758	5664	7161	5846	4712	7703	6967	8725	6053	4084	6230	4620	8554	3419	5244	3791	8641	6918	8634	8479	11102	17636	10845	6314	7381	14726	10179	9568	12317	6690	5772	8782	8201	10871	8041	6316	8248	9759	7563	9591
NADP+	16385	53964	78118	38434	94386	109105	75126	89012	110885	64786	90109	70272	106647	60099	106795	90380	88683	88333	84165	82384	59637	83462	62151	114359	94689	101798	69371	107864	53559	94396	70458	109138	43286	33802	74129	71767	63470	82765	23380	30008	23255	95187	64929	19979	91659	66194	48969	62633	132844	107652	176163	166810	165327	182054	148703	137971	113288	191308	203638	184574	177423	168800	181450	169165	57744	57385	99441	100205	85850	72297	86967	82234	23778	61854	64754	24013	63135	46315	76251	55782	60719	57843	51458	30481	59407	56008	43252	47850	90835	80862	66784	73239	84787	98912	25798	90285	15210	60816	47453	56479	55410	57085	54545	61446	39662	65627	74117	87560	76278	109306	52311	43934	94733	100800	41388	61327	59223	40359	61848	43451	93881	75078	101550	84725	100243	102490	76408	114101
NAD+	171393	401643	670171	313539	672093	709297	403964	518863	827833	677683	582644	532445	666330	418319	452446	504954	405509	405251	550182	606732	582192	329051	301175	447111	740857	618290	641504	643533	702736	626168	645589	710827	403533	504529	588262	602951	548620	418803	387214	516850	459348	589268	521377	462404	561333	711654	460620	521616	738777	1300998	1398574	1231061	1114663	1465028	1237098	1114828	1373420	1069796	1296975	1638359	1067208	1489543	1130026	925202	381492	456816	484946	610192	636478	451767	678007	817740	214984	313576	285688	292728	317444	207994	365813	396662	334604	300509	262820	372547	290903	178491	453816	313937	567733	485015	447990	527992	720449	719970	517226	599551	262321	444440	345886	429843	339606	469206	268988	404989	275516	430353	443003	511354	423162	550447	447005	560059	533402	484222	449278	191079	316425	421998	363125	302125	338799	502501	284653	447807	604820	468085	460350	747964
Phosphate	161760560	140811744	143191088	209468848	124976704	135990416	175666752	161109456	123221536	147548864	122519624	146042480	158725760	178314384	179704464	166572592	166949360	193272384	170752368	154323024	157900864	186782800	212224464	171754352	123130056	169865168	164523600	163736256	160343056	150426160	155158528	135556288	134564704	165126208	177564688	149302496	174892528	181686448	129302304	166104224	151713472	145716432	130501832	179479808	156059648	152722688	150528352	140761264	160742912	112857688	131668808	112327808	144913264	135263376	142563104	143620848	121749160	149390448	142748048	135078288	139630928	115943720	150074336	160133296	157576656	156066640	158116720	145831312	128747480	149919360	130571384	116285504	189588048	177500176	187581616	148538672	168335344	202262208	168317296	163898448	160093136	130964032	148167728	144334256	176164160	213173248	150453520	163895040	151603648	142127568	159120496	140226176	120880128	128811584	137432128	118091912	169971392	137043328	129289760	127497992	176831472	147429632	147212528	155297104	148104464	125195880	141471920	145410192	163170752	122974376	145471216	142716192	127693280	136033264	188580112	205779968	187108080	178858992	180061696	191718592	206114432	159882736	184985264	163604848	157422640	161941920	138414976	142574144
Diphosphate	33836056	51756100	50820884	81148904	27181690	31658206	66406636	44465140	30939474	42186868	20307526	44479812	49931500	59682064	70480816	60618272	62059872	72616112	48999612	48056940	42907012	75775288	78860864	72480752	42109308	51539040	57232868	60870108	50983532	50579404	39892580	34666340	50926240	53934828	62004048	40002696	68848200	67374872	41364516	57893372	40566480	38557980	40157472	54447712	60825132	46393792	52523536	40153120	57395948	34418676	34597668	39230768	46616784	36882880	43218720	45615892	35480472	46565328	47838996	42145300	48131184	31245874	50309676	53018324	45534476	33153734	57464080	39062740	23282264	34442152	21352714	22621168	78157280	42437692	58613396	51341428	57221012	64511796	44283040	54647216	53403756	26911818	32425752	50412196	59647600	88952648	42758100	55541668	38370252	26313438	30419866	24120672	23523910	26802634	23746986	23432330	57585428	32329930	47641856	35153484	42955476	31728386	47136380	36443100	43753264	33397776	31044800	34157324	37563628	37928420	35975664	30501168	45400076	53804420	64053820	79915232	68113248	65600884	55210764	74568560	74259736	41625740	75831384	49424956	60581204	60512676	47489644	34120120
D-Glucose	896151	1270569	1416232	1594889	1802172	2405074	1727224	2526631	2218459	1561903	2479470	1605747	1579436	1989583	1769651	2075335	2971740	2278473	1782310	1900366	1220961	1479755	1441960	1837616	2823520	2342302	3000569	2856239	1932037	1537707	1761108	1876195	1694163	1616433	2573287	1813937	1229922	1259670	1078980	1464366	1982169	2223655	2312689	1475149	1936562	2041560	1571674	1551704	4511037	6311708	7239336	6978775	5332264	7973616	7583028	6926358	6307481	6190665	6276122	4027636	5986036	6678334	4916837	4524512	1286402	1356361	1096786	1402207	1668863	1575636	1647238	2493503	993593	965793	973754	682848	981922	1223640	1027387	742020	1302820	1532311	1115916	1113008	978634	1123513	1219950	818640	1470434	1902689	2149590	2156420	1632479	3040588	1375962	1966492	838679	998707	1007777	1494017	1207993	1369195	990939	906942	978997	1297528	957881	848628	1362715	1651256	1143576	939955	1595966	1481672	1247292	1212462	1238766	1651478	1537151	1548301	1233581	1515643	1719461	1528709	1825806	1692926	8515664	2005278
D-Glucose 6-phosphate	912691	1114487	1237942	1063873	1549802	1731226	1180725	1625391	3107626	1052938	2016617	1535382	1535773	1502478	1542320	1388200	1305478	1298094	1388817	1586533	1362970	1092461	1340108	1349031	1542462	1503888	1207974	1629244	1359485	1178565	1236407	1683628	1139067	1480106	1501751	1524526	929436	1260156	898587	1256703	1192595	1895890	1608876	1103311	1616326	1246074	1545312	1382653	1594269	1938714	2560465	2150671	2239638	1959552	2219332	2215039	1911446	2124601	2380869	1833899	2172174	2561971	2354153	2121273	1060658	1500886	1325184	1586582	1731526	1451905	1964953	2167541	1039294	1224611	949486	1096269	982000	932472	1054395	1159113	1183292	1524944	1259096	1091558	1077166	888077	1372727	895678	1320958	1323339	1395765	1768745	1799936	1690691	1678085	1893410	1085798	1385323	1252832	1157106	1227831	1169493	983601	1446874	1135603	1236225	1187177	1452121	1545018	1661248	1384070	1660193	1840202	1706505	1277677	1184510	1121232	1320338	1007929	1380243	1124767	1391851	1176626	1192779	1388219	1453296	1310632	1715584
D-Fructose 1-6-bisphosphate	1910197	4806665	5371446	5636883	5841461	5043863	6056700	7443956	3133661	6272486	5321547	8541077	9066789	8442973	7804930	5212923	8480466	8402837	8399285	7571558	7132904	6800776	7616580	9794408	6972242	7952335	6101753	7825338	8026446	5136254	2904056	4364522	5587960	5516177	7340445	4803787	4881269	6240782	2806054	5365633	3146388	4006054	7019044	4036417	4924696	3287909	3611903	2381324	8486067	7506790	7886220	8896507	9027813	8584132	12078076	8006071	8301503	8584323	7616876	6843947	10331301	9487145	11348616	11518965	2755116	2614905	4431966	3598394	2734915	3349765	2673175	3265703	2798949	2607070	2642194	2302159	2407411	2629666	1905147	2032166	2781910	2356964	2335374	2426033	2454591	2652462	1685889	2821507	3576335	2730631	3953183	3811915	3389739	3963155	3732252	4862168	2152655	1460810	1997305	1384393	1792188	1650045	1685485	1749244	2501170	1977229	2104528	1502442	1169503	2012543	2501453	2229553	3599136	3887728	3170593	3140766	3380933	4687794	3770385	4172924	5958149	4244150	4962880	4848948	4944968	4582765	3201662	4494914
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	681266	807624	1187122	864626	1154380	1640595	741338	1249487	1535301	1047737	1649973	956264	1321946	1244699	1238754	1375598	1080039	781694	1190283	1698951	1163633	960617	963711	1174988	912638	1157813	967935	1356066	904918	686461	672142	1079070	1039889	1440719	1468567	1161679	979050	1237683	1161383	1158015	944232	957097	1108190	1177875	984834	1103679	1127776	1229676	1040290	1387899	1669783	1582216	1597427	1469750	2090130	1795633	1471750	1231066	1154357	1637655	1454093	1943932	1425328	1508200	733522	1128136	831899	997726	1257487	1294932	1139350	1587944	783522	740969	796456	776131	663489	732967	1016153	862429	898732	1397156	810633	888573	872812	732969	1028883	875890	961131	1221758	890841	1309612	1362357	1686183	1530666	1664339	776272	1231828	883450	860660	959379	918445	1037913	1034049	1050294	1126963	1095082	1002542	877875	1276159	1518383	1617567	1849817	1379775	890109	882477	875978	1126537	1023172	1179243	1255553	1267349	950967	1006014	1087380	1633955	1547118	1902999
1-3-Bisphosphoglycerate	111355	255554	217924	277834	158720	156402	281445	181808	193098	231708	134320	258005	216990	433081	342685	313693	428096	348074	344270	273288	258336	408265	368837	417531	183836	249724	303896	260131	239181	118445	169138	108251	184148	222464	184480	165981	194478	267834	169885	212828	198951	122123	154521	137403	169594	194920	174356	140716	221369	142061	154065	168410	177937	212847	230575	235196	194530	217321	229902	223970	261486	229842	278221	398596	117247	89955	142565	114129	71017	77879	19490	39323	139825	167940	138280	124947	153298	168415	116708	102417	125544	75791	86727	129609	164167	148499	149595	126140	153336	66343	90457	97021	59823	38906	54472	81048	222276	72615	68042	79221	113868	51061	80705	78403	99428	60259	103069	19919	85322	68930	67695	56818	172097	205600	209841	249355	272562	164066	220368	262575	258821	196421	140573	194000	95149	266706	172123	87823
2/3-Phospho-D-glycerate	2978426	4002745	4551367	3294998	5022938	4515065	4219470	5463032	9524719	5459310	6786887	6323238	6402290	5338262	4928339	4428428	6079151	5329814	6037589	6977165	7031141	4616195	4674099	5949802	5760384	5728464	5498377	5544497	5792540	4666663	5305014	5280706	4139602	5376218	5522975	5290652	4405613	4514372	4442094	4798890	4083494	4598661	5144118	3807721	3918331	3949195	5637191	4484058	5622779	7936782	8020917	7922047	5933035	8674283	9214548	8038088	7493982	5709836	6116623	7418676	6723793	8037007	6313566	7251601	4530601	5102217	4810189	5233697	5322622	5482922	4545425	5596954	3821680	4956145	5961299	5480897	4743182	4151315	4679549	4724481	4316745	6358852	5658180	4652016	4109431	2959235	4346569	4469412	5194762	4751102	6950624	6963108	6342731	5351023	5526174	7660296	3132806	5863617	4420557	5041191	5361609	4304743	4749508	4630740	5312992	4648168	3011464	3597613	2464589	4841218	4632932	4770851	6793984	5823600	4413684	3502953	4068483	4825704	4284644	4251120	4274151	5848127	3494839	5709610	5007002	4381609	3931814	5903050
Phosphoenolpyruvate	660172	927307	836103	826123	803302	953600	1065827	1095833	1474926	1119846	696432	1330078	1331534	1364965	1443935	1052153	1398149	1332069	1408412	1306794	1449092	1185558	1402946	1532079	900259	1167707	1161816	1197373	1001759	926987	797069	638953	713469	1094168	1064882	1095961	826120	1052451	824810	823687	558854	772907	605665	693584	591527	794971	877142	781639	742370	1007883	901550	957282	597753	1244905	1470002	821251	971179	873905	877088	1089560	1020393	1011529	921892	1165746	576661	442978	721936	401491	282366	602038	244681	432065	502961	656478	644940	697147	600380	665446	616863	532070	490125	590422	619915	718651	756962	613605	829549	698545	514689	324435	584657	601986	456797	464353	590750	619963	1315553	587371	454422	468422	520118	480567	505100	498852	585922	409704	631646	240554	772351	494929	368191	348003	1148895	1170763	972886	1178437	1048633	1075818	1113890	1365171	1312142	969715	713058	954931	796250	840814	845716	806861
Pyruvate	101842	114745	237716	204968	166314	39388	202161	214335	332455	150776	344086	125744	215425	163162	161475	124256	253431	175019	228870	80570	174941	259697	207011	178277	295043	219267	160119	173209	246197	131244	247314	212743	225620	138115	140218	154894	134722	145669	107541	143116	256180	196848	289182	118260	200206	144889	195392	131604	598324	447716	367307	511230	623374	440075	429043	568783	602313	966992	669330	367323	520018	496259	437546	590907	92612	139535	92547	157419	192446	178269	230968	203227	129771	107397	135919	55368	124552	77787	119686	76001	78139	138352	71869	101772	119795	83369	90089	103030	111822	105278	132021	120488	105970	178610	85052	175175	99658	163052	57697	86164	138752	149607	82095	14165	80601	165183	0	100385	57328	160336	153907	145741	125998	135911	111406	114034	80537	133418	125787	87982	124686	160444	113685	201614	112837	137888	118044	186444
Lactate	1119142	1343328	1652548	1433887	2166229	1678889	1931765	2542931	2417270	1554187	3030039	1936011	1785973	1730857	1515438	1602914	2365798	1743083	2436522	2112068	1798763	1487358	1372924	1822261	2527723	2463395	1870561	2123274	2079212	1599090	1468846	1916980	1909611	1679780	1810157	2007281	1345137	1439970	1312775	1587294	2051694	1851889	2588898	1741982	2017155	1559131	1790249	1729448	3979781	7185768	5788248	6402294	5276016	6010721	6356078	5943219	6423970	5619985	5363031	5922100	5949526	8623825	5666276	5414618	838124	1323348	1032022	1477376	1203612	999493	2147945	2075808	1219622	1146603	1028197	877696	890157	781128	765566	745121	1024719	936027	951539	929932	1014852	1031793	1072230	1060907	1471689	1247182	1600378	1553047	1619729	1823440	1470641	2074641	1083090	1218037	1038743	1028610	968791	939439	833738	1158448	970407	1097997	1127057	1041572	854133	1593194	1517739	1525217	1416910	1322298	1134483	1065351	1084179	1583972	1438102	1298399	1567910	1402092	1402170	1394702	1660878	1506593	1937337	1305392
Mannitol	366782	1118216	692059	407618	691600	729568	914818	517231	779624	449351	681579	338786	327341	453286	336267	576158	440742	309699	426875	529184	435185	371079	239022	601434	659426	690382	546324	533092	566307	589000	402997	475458	402797	414842	536053	442943	328925	387648	385998	287886	456312	493100	499910	296788	540763	399211	428369	417834	725594	891967	872579	1041124	955657	840045	772874	744867	815538	991829	862342	1041402	785365	1041975	860489	884224	626661	717886	466659	630749	1987330	769543	1208511	2087106	499077	836228	388413	404426	424151	317846	535143	441980	396210	753450	548704	455158	421009	290955	868041	481370	817816	1956114	1182978	951034	923681	1292882	859684	3504831	353671	697576	736913	664047	364205	1279024	1859851	719199	514470	1256828	730537	6929904	658672	818667	663362	578005	919913	1216176	845802	744281	1266330	845700	755684	787429	696815	1065995	1122077	892092	1309788	1065126	1022625	1665056
D-Rhamnose	33354	836894	236216	164518	49861	162136	926742	40814	11044	11941	5809	10470	5247	10310	6311	7109	4243	4678	9106	5574	9487	6292	5916	10614	10360	8176	8005	4381	8090	9781	11519	6162	5372	4002	7779	8569	7289	8119	6692	3950	4840	19830	92414	11022	6080	10050	12582	5284	5762	6797	4458	13017	3493	9339	8037	5096	6913	6701	6558	3364	12795	6090	10724	6074	13856	99961	7207	11186	600025	9662	147154	613560	227494	578379	9770	30636	10894	9301	34065	13745	50047	10321	9793	12816	19189	46555	209380	222005	287224	179347	199213	50136	12464	18715	7691	1169937	11034	5293	216491	15521	6468	537716	1134821	11420	4669	477359	24364	1454398	20021	152868	16863	12273	11718	431989	555337	22352	1174928	11131	91343	3717	15938	160330	20718	13507	249377	17325	8855	194810
Citrate	16506456	33143238	28105526	17960042	41314732	32944250	24767618	28504546	41541732	30181440	47383452	26790482	42413728	26842018	27649226	27986314	26735184	24287138	29915368	34781008	30554848	14653197	20472518	28791334	34238148	26789750	31051312	31572362	29419536	37400788	28771600	35322980	27086362	35009000	32235936	26238074	24401616	27222822	16387688	21711514	29298146	36280704	34391124	19345210	28755494	30205864	23612642	17017182	45463444	54547536	64967132	52416492	52810732	60251360	73115112	78560264	73918496	47632108	51738660	58873472	49041248	55819204	52359532	48659520	21321242	22181862	22082222	29542022	41429356	24055750	35550844	40170404	6833090	13109144	11504543	14618235	12217716	6854070	13299499	12112545	20392514	24737126	22342678	19870374	12799839	6789125	9836139	10992353	37174636	37493248	25102010	40461744	37818748	41397056	24723078	41599452	17245536	20514978	13399909	20969318	21701246	19697254	18943750	18363590	22351634	24531542	20317576	24042426	35384940	25250664	28733662	28849264	20182914	20321978	15596977	9557572	15157105	16328965	21090450	12694745	19264248	32002706	14573320	17199508	30270194	29445352	28763032	30952424
2-Oxoglutarate	239728	433663	441260	240457	424993	241020	389117	537975	581439	395237	379831	351484	418736	307978	265753	257760	487527	442800	658429	396656	486614	170638	244219	262864	589383	454354	627370	495439	510631	553431	698373	714402	403678	437024	520506	408667	440371	446667	376999	361425	472841	371498	413377	298907	282707	322561	350976	352968	1039013	994149	998935	665355	1116567	936068	1416171	1678433	1587068	1311001	1835344	1476628	1348804	645069	955735	1049787	149709	223060	170806	157465	181466	109615	164134	127427	115597	146131	122598	109028	87598	120025	134720	185771	160905	100815	140825	194906	111566	143974	128295	131705	174415	295095	210053	233648	184945	244544	145199	195308	139796	175577	134404	139850	168799	130406	94252	116189	94839	229392	226629	136832	275542	202686	149310	145159	224951	269654	250386	204403	169528	202965	151603	221024	144588	321329	129847	210200	190835	258975	186250	222395
Succinate	559236	436296	530176	373969	715649	526228	586953	671837	965088	474146	911441	742262	567679	549116	421504	517224	559084	639004	751238	784020	731648	313960	346386	431480	839481	568066	704841	728379	590777	623405	504287	799622	412988	362902	605569	455457	303641	492019	348862	392958	674855	551392	515620	737778	561772	459377	476640	431414	1575452	1772087	1662264	1259523	1390481	1439700	1702155	1519684	1736179	1169812	1037865	1239795	1149161	1369139	1150737	1074976	632527	881615	449196	872775	951329	800043	1233656	911083	663469	980864	1103288	1097340	739031	653795	1026408	977383	730993	1178281	1020440	741712	688299	466383	833558	659125	674794	712238	1294611	1213035	856589	1033519	1034389	831016	1042465	1273416	905378	986380	1050219	1070669	775262	944333	949409	715103	588971	616486	621978	721725	711522	671275	1094689	728563	870458	447053	627399	696914	659072	517411	403226	729669	378220	528570	585867	580274	670493	786129
Fumarate	826047	885487	1319395	867458	1268286	1355485	1020399	1204715	1545688	1393295	1385170	937353	1220985	1420181	821100	816633	1137115	1144942	1561523	1426674	1436161	813460	875100	1039703	1248951	1150740	1249621	1260028	1501921	1012219	1347243	1404842	1199201	1548299	1064260	1034790	1121885	1126447	876563	1144336	1361297	1405265	1106401	1058920	893939	955156	1164160	1036587	1812237	2403318	2681551	2183979	2131752	2785776	3592547	3168509	2967002	2145146	2827464	2825467	2335185	2248985	2103312	2453907	800612	1057025	688371	844826	1121607	675999	660571	988372	372911	656869	430707	611387	448430	345521	435692	447439	711224	799220	828080	765869	530426	397040	692453	643788	874642	921946	948471	990302	939731	1113338	1004883	965844	545700	925442	570135	781553	609357	561591	749512	764848	652137	811390	892906	832820	892264	857149	1022110	1026981	886693	910626	610153	450518	626966	886190	627251	502556	606427	1074755	473246	719615	598491	806547	715777	1002539
Malate	12346568	23083776	23287024	16766512	24954678	20599292	16174496	26239064	28152176	23094714	23073328	25127206	23930240	21589840	18038326	15886345	20520232	15654453	27142514	25254234	25400680	11689611	16098763	15234836	19081438	23776464	23681130	18336450	26827536	21647818	21664362	26303542	21439694	26960602	17589598	16917952	19533464	22694880	15508771	21781974	23205906	26062768	27555208	17705086	18826592	17102206	22169650	19279364	32039840	40109828	50370188	44124480	45761808	46892516	68149424	57096740	57303292	37363944	45398092	50541296	40112372	45645716	36508076	41801344	14382109	16962696	12934763	13805573	17709082	15272967	16809126	17963722	6437514	10042848	8806283	10428466	7745068	4783113	8355206	5897159	11673123	14554984	14232267	12747903	7924774	6568578	11748920	10515093	16797672	16477540	15704187	17448794	17076806	18306832	16890982	15189256	7798196	13389796	9291023	12191365	10719169	12176496	12465517	10840463	12456421	14395933	14970872	13387475	16441892	13591256	16096837	17059678	16884696	16298560	9425635	9531271	11127019	12409972	10650966	11640661	10577634	17141874	9241897	14127104	12753744	15026204	14667448	18340490
2-Hydroxyglutarate/Citramalate	240378	279274	272641	197117	325252	295158	258804	325434	392134	351473	402871	248083	350823	368971	184128	207789	312125	270008	353857	371038	318567	249127	177088	266567	369152	362929	293441	261891	342136	226077	415848	359641	248064	288189	344428	285037	262984	314906	210628	293009	321035	295017	319948	227415	221811	215650	171017	319706	483364	738571	755483	511007	645416	775310	971900	946083	985095	609814	958858	805692	571005	708955	526915	670146	249936	294639	192977	308106	284925	241244	324104	436505	54882	131452	159883	224954	101741	170682	237243	210281	260179	176026	228393	158282	200730	142313	209472	163516	259693	362957	266811	420423	396090	372179	216402	355716	210598	281112	167234	262236	210656	189221	230298	195232	239475	207101	273368	226581	261072	235093	219099	237413	185632	253250	174632	60048	133425	216354	113867	153186	138346	222542	131146	176820	174927	252666	571331	272837
Itaconate	122702	135084	257092	123230	295620	265365	236171	162406	312130	253985	394170	197417	178035	193737	143705	223361	149669	162864	201047	278691	271341	113457	106711	179790	227712	190091	296727	252612	277013	207206	318275	213975	216184	284423	169086	207846	217879	217866	177289	153661	269927	246066	168267	190982	202614	181765	206660	90198	431419	563096	526959	528097	447790	504200	697423	527076	467008	381503	471597	622537	489422	473770	392534	362122	173947	227800	132896	179499	270279	177247	173727	297107	32534	122866	152683	116214	43975	40316	154968	134990	114301	165943	153361	93139	115249	75298	74929	104252	190941	141727	228237	230237	260774	192826	231570	175722	129982	146444	115272	133649	163842	169373	166934	124195	156225	214326	127566	159405	205571	206046	232133	221323	215238	179675	148260	90703	164662	117556	142849	163316	84707	220401	79798	175621	202273	149435	230648	241513
6-Phospho-D-gluconate	388627	646595	657950	569296	752677	704378	593114	899305	968841	500597	606145	768283	802264	722355	785943	619625	758149	683905	704651	669906	505321	622819	600769	751435	628582	670576	509704	797095	687611	504658	348568	377738	734593	722872	782531	719663	542015	678706	518860	691322	487446	569250	815077	619973	523023	531237	594236	374305	1547465	1758444	1984484	2096984	1836984	1795380	2212814	1687831	1544813	1868144	1388216	1834598	2175359	2482207	2476635	2137902	1015219	1133063	1204829	1150033	1328591	1203337	1243242	1425626	663828	609177	738900	718133	627583	511325	537407	681525	639886	780920	802655	743873	799390	680033	677004	751363	1247196	1094306	1810639	1807546	1969253	1828636	1460776	1838229	698816	720997	833819	763357	870528	507407	753261	727326	914038	839532	826552	731162	948572	1080683	857585	777507	952566	933946	712549	679928	718564	964802	778800	826005	948917	791222	782834	845685	998315	1093377	843454	1024620
Sedoheptulose 1-phosphate	57441	122811	185981	102578	214744	223597	119145	239633	272167	178520	239866	220705	174812	196739	185627	81177	154925	151981	173254	146771	150240	122997	138467	185791	194968	190152	85759	101087	161006	105953	95278	127444	81320	52765	120807	119988	77460	83541	106913	139083	109532	171905	184452	127000	141587	122969	142822	166061	160282	265159	280198	396695	296827	262392	379508	318205	387872	331002	287608	342658	300761	349832	310431	263952	38938	71283	78979	108791	111695	69881	129830	147015	20200	23692	38772	21242	35404	16123	44244	21286	27444	46203	47614	34717	42552	18218	41708	16050	63709	71700	59328	93872	94685	77706	60287	93096	31444	72522	28666	57426	14600	51386	30200	43424	54025	56500	46862	44916	40232	99329	56504	57194	17125	19234	14647	9908	17613	27393	20603	34614	14896	31039	26237	37272	47484	13868	30509	70005
D-Ribulose 5-phosphate	322484	289349	483676	280611	566670	698550	388110	586987	886021	579785	739964	657666	528121	438820	399535	362894	410088	359406	396245	550219	453398	377091	301567	452098	529196	424400	388828	488239	379918	231768	220086	243509	406399	381221	372785	396034	219147	312213	306392	315463	324504	442161	400009	454781	326120	390670	533930	457048	454556	988953	1003607	1125432	724183	752570	1146546	848083	1009873	436448	440761	843244	700557	1121318	715604	652558	349895	385707	291387	462440	647207	487247	549236	868802	179277	313203	276623	291601	279264	182564	198970	275447	280772	519831	440847	306866	282001	183630	337871	365681	499991	483927	659700	789596	655999	359595	540922	801094	209606	504590	364036	444458	315169	368343	398770	446283	403169	364415	275023	356898	258719	421073	456975	402080	341454	213896	162219	87657	180919	228700	137520	171000	127343	199292	194667	215027	175953	220371	278255	385708
Glutathione	1032866	2057549	2784389	1222928	3074689	4254185	1815310	2854658	4874619	2295514	3311993	2352822	2775038	2320873	2219403	2137970	2190594	1393309	2220046	2760179	2277444	1712393	925895	1838622	3670398	2536790	2398603	2265024	2064141	2197309	2367485	4038522	1679974	1361901	1520873	2365719	1333217	1358130	1269370	1851545	1897671	3002560	2233308	1205794	2014949	2174204	1825534	2328134	2723891	3785823	5459316	5571706	4880293	5224723	4396458	4622957	4441071	3091504	4009973	4552052	3252498	5832088	3566179	3301269	1763082	1922065	1625375	2336047	3580427	2465333	4328559	5761790	670212	1020869	1010335	1082058	966801	577977	1256167	1115080	1301182	1996657	1050483	1125713	1223566	559497	2048772	1100494	2010735	2223062	1842971	2373750	3397483	3498295	2296574	3466482	971418	1856411	1348356	1375060	991443	1389552	946056	1756122	1172544	1354931	1593485	1651430	1113007	2106168	1521375	1691054	2424221	1744110	854516	666723	859127	1551421	909464	1238156	763343	977218	750401	912203	1371565	1334279	1135422	2222633
S-Glutathionyl-L-cysteine	94709	212232	368814	241643	300602	327061	264658	445426	465678	285039	311642	252651	334967	328565	240189	318672	420271	311507	358224	316192	274633	231249	333565	348534	275475	302889	238079	405455	354933	307993	322683	191007	288558	340152	337561	334101	223794	325871	158907	311264	213005	353198	283556	269892	277538	384704	276357	204779	425862	531510	551519	588130	446792	564026	562726	635070	502703	408739	418366	402908	417028	430600	473723	437949	324127	199972	224105	235601	289947	226927	317679	335532	186121	166177	143025	193575	135738	136295	171750	178397	276038	186374	129892	142176	256825	101165	70499	142495	242327	219312	144177	223103	272079	258937	163894	201990	140684	224256	226756	137738	166626	210758	194436	187964	134716	175554	173816	243133	185385	218170	287919	284244	187568	222000	121936	103021	163129	152852	181744	75647	194268	96213	74712	144264	154960	159467	176725	212929
Ascorbate	27585	91268	100819	80862	101224	79730	92879	76662	61336	89617	77696	90359	105693	106749	92676	103278	106218	94099	99219	106021	67856	91718	76140	39815	98373	123471	123393	120022	103798	106022	109864	106444	91589	92440	102568	78197	91979	88166	45055	91736	88542	84864	107044	50515	91847	73045	68507	18328	110369	115634	118248	120918	147997	116736	136472	132001	140675	133912	129530	137315	136709	104996	131746	153342	62065	94053	104708	67868	62837	57436	94881	41624	74573	62172	65199	65285	61724	59983	71822	67020	80419	44647	63193	65365	70327	86957	30596	67497	101616	87042	88583	97679	90281	76636	81228	81424	39637	33749	52064	32715	42988	18081	14832	29551	46368	54560	57954	55027	74948	75903	66216	61989	66869	93438	97054	100362	108044	107635	99414	114188	116335	114418	108640	113811	103649	145162	231413	86528
Dehydroascorbate	332148	476044	906367	515314	887929	645005	501130	768454	882307	587811	1030771	752349	810329	596083	617418	585102	647650	491857	872355	841524	566516	335544	398501	679153	894345	559823	705285	701724	566282	464917	823261	903088	802171	703314	848578	587040	586970	680584	429609	637359	678566	817338	693319	405217	634463	772278	508152	489259	991240	1334279	1745807	1603044	1482734	1361825	1637144	1405966	1533833	1198984	1303240	1648563	1039574	1560073	1085175	1172803	614732	663768	459845	730841	860638	445597	866435	803526	222594	338706	244568	334102	239990	246167	364937	244167	504521	559603	464097	426615	391181	215893	203512	304527	638527	705581	731817	839228	721647	848660	716299	929062	373954	418933	445829	577271	462343	496744	433970	431132	441664	591170	435381	645513	649052	631015	706962	699674	568677	530913	344001	211450	367285	401619	355454	456226	457401	440578	318814	580137	613334	630137	503086	808797
Dimethylglycine	242228	384852	383218	352574	547947	551347	397663	457731	681122	390727	671003	347528	354895	459764	422341	353398	410255	353037	467305	378668	439223	230833	291817	345719	643685	486703	552810	498389	343513	456570	521676	429442	412600	370273	427661	429789	344640	359284	293109	314798	490597	509031	477084	283722	445679	497877	407929	488303	597194	690176	902050	897595	734310	904932	859364	1013416	713425	714952	883143	753389	539214	1049358	734246	607871	288977	352328	306600	436571	584907	391305	533175	770816	181649	237450	258257	196829	192211	152764	252402	245510	249003	320445	266498	229092	164306	207752	326011	231776	458727	395892	401433	445852	507316	517726	580035	511466	178198	383541	215598	221948	227586	293803	199573	324647	266181	298670	250579	335707	320016	314260	291526	341313	298600	230517	213468	193218	205828	350279	193785	241832	247891	432193	227981	329525	347768	354729	281109	485871
N-Acetylneuraminate	406408	345474	478606	247186	924491	922739	328536	453919	1607355	909468	1746322	578060	570795	478979	310449	419197	309879	261322	460817	535837	728561	245599	180002	328038	885413	442258	431287	489173	579920	651052	748324	1170562	457655	331455	340439	599398	148846	253572	339851	391680	489783	1061085	735544	265910	260741	592837	465481	666413	713144	1689676	2203985	1833211	1306777	1619266	1749562	1527064	1947182	1148334	1410308	1626387	934272	2463486	1004430	857489	124557	147052	32406	289610	447595	225114	480349	629513	23279	83344	111841	124764	91033	80365	158864	117073	122231	453960	214361	105092	161992	44675	239653	128893	211188	374772	229287	493612	457246	484923	387979	451788	35506	196234	218109	265123	169859	177666	172057	209257	171768	206788	188033	306252	249737	205822	257145	276859	131364	165321	85335	28885	43689	93537	62513	38661	83115	131331	65727	103314	70548	103983	113763	297909
UDP-N-acetyl-D-glucosamine	1999643	3784068	5681102	2891178	4980997	6681263	4230796	5565847	6653542	4418584	4618360	4704191	5218598	5629821	5075668	5086926	4887790	4777180	4657546	5396079	4447960	4858576	3660080	5321930	8115688	6670626	5374692	6264886	4888323	5596770	5072852	9177705	4573528	4747955	5055242	4439114	4024900	4152801	2888985	4092459	4356487	5254514	5056359	2795496	6057120	4809022	3978585	4747454	7019762	8578795	9417775	10679313	10776909	9881839	8787118	9293771	8118016	9717719	11175321	9049052	7964746	11173032	8106666	9400400	3714893	3716499	4316229	4582446	5504561	4006366	5662026	6939468	2400168	3165908	2899923	3011953	2891384	2592347	3703842	3570914	3683039	3036910	2935959	2703715	3490912	2264512	4464460	3262368	4248173	4450347	3835911	4274314	5979135	5087386	4233236	4819188	2371862	3557541	3563404	2958569	2805570	3322355	2739547	3741039	2799712	3039446	3344239	3734719	3122680	4734011	3710889	3971545	7299600	6950746	4273791	3078202	3861045	7060694	4174230	6075056	5075735	4809373	5265274	4736437	6769296	6936522	4941822	7642895
CMP-N-acetylneuraminate	187233	381605	497232	314348	534244	612576	377052	542274	714123	342227	574978	488177	576357	540011	519712	539716	486208	434658	566075	542422	421619	441454	308607	541882	783716	618377	508761	570982	509143	517582	504454	853952	390851	421327	487387	423341	337293	364482	264860	373116	471109	600073	507833	294343	596092	480969	395212	466588	691400	899441	1064051	1143409	1215809	1149683	956384	960467	1091747	1098557	1263737	1071942	892154	1345549	1044788	1031890	190231	162747	192159	212570	288889	192247	280189	328063	122665	162774	167666	153415	118396	118933	176453	143129	158151	158087	155548	161135	155255	63647	200350	127726	177708	224280	185109	204817	294616	247358	201584	256683	106961	110126	177578	134137	148025	158752	120689	182562	58548	148596	93355	185422	144250	189983	131521	193431	276407	182737	186952	89487	182043	223855	152327	261129	196776	253748	190790	205872	175852	191354	210178	335171
Taurine	34051	82783	104575	62036	205975	233066	92800	186983	263249	116762	241764	101511	153199	60429	44132	92362	85800	57031	123798	122029	166109	64350	40870	98408	211942	163656	75114	86977	81313	128635	171016	205620	147776	120570	147303	117690	40080	154548	81849	63290	212303	270945	185784	61538	79348	150647	133748	163807	133313	359054	280212	294149	258543	301303	304406	354037	359483	211251	246475	309254	223348	435414	267173	187397	315826	470793	279635	408162	771094	637290	905647	1224179	65273	187821	222396	192140	275222	111854	210156	198690	255132	599486	312398	233846	212546	160493	342628	141423	522796	605900	605993	793325	968611	1041063	622640	1209828	272657	420360	321435	429502	297219	362793	282766	329194	280695	526534	441621	448381	522342	391068	293373	533904	256400	224026	159925	131054	172514	190115	106010	139480	153689	194253	153645	200733	245435	225307	201373	402787
Glycerol 3-phosphate	202748	305714	260797	229063	457211	363282	202521	380893	670549	399476	667565	458317	422393	370439	288073	292491	310775	233754	379482	356832	401992	251025	236978	290758	494057	379106	348207	261925	303656	359915	286069	351172	263356	396942	373956	455609	181107	238636	239757	276718	311049	429534	358976	249864	223455	344660	289111	252971	425673	647545	954137	667631	455358	652542	638310	700695	804175	560348	803957	857986	523738	813999	538351	603625	466789	413192	458425	666108	844573	523408	679733	1144062	152857	245391	370954	369776	242270	142482	291493	225123	327643	764953	484278	422509	275883	92339	489737	295979	572709	647560	695572	778670	844644	737187	909919	885439	243090	603972	398392	387744	376120	405477	432221	545456	452041	449082	275330	337049	279127	333272	379800	436771	610578	466025	294055	257023	297890	410054	325574	270740	409334	555907	360797	619586	542534	432425	379449	933277
Hexanoic acid (caproate)	203708	226173	175531	246555	234660	191177	228717	222637	238514	232712	284865	253225	265679	249720	210847	228417	252308	338601	267741	274391	321409	211294	404827	216932	76828	249839	251742	226487	246310	265763	264510	87853	246457	293574	259803	213272	286300	295065	285522	276216	248571	168648	223711	302347	93053	267083	250228	88878	207413	269969	241657	283851	274925	236599	271109	286817	276494	107955	236069	287627	287300	259446	231963	248881	203715	223205	151577	222649	175456	206060	357660	157405	193172	198839	235167	423196	200684	277225	183679	182047	1021467	179052	193798	266403	143247	297022	64580	220518	237119	198296	235408	188773	107354	202771	184154	195044	176431	205218	160305	223575	219478	174881	204289	99987	190745	224371	179529	144816	201717	186545	213539	155613	190733	174422	275368	261283	251031	148528	238091	159576	172176	275758	92623	222683	139260	174761	214457	146091
Decanoic acid (caprate)	25041552	24705616	22558138	24087312	26414578	22070418	23307958	22931954	22753534	26063358	26719992	24072562	24084462	21403440	21083214	22343766	21855568	21888714	24134878	22812010	24798312	20453626	23744478	21812022	15626060	20758064	21969568	23404694	26763302	22263054	25696296	17364652	26668214	28659946	21851806	24757066	26361418	24099074	27118714	24115488	28505558	21778248	28093450	28991040	16624533	24150298	24044024	19075056	23636650	25629632	23401608	22041232	21776834	23707800	24097232	26540928	25279520	19687474	21628234	24186160	24201602	22995838	21682722	21423310	22684050	26144554	20238680	22326830	20454644	24014096	23778536	20141808	22128386	21252970	23135906	23602526	23079722	24097712	23046022	21589524	23216858	29445110	27403510	26600190	21484138	22804474	14144101	21840490	23030576	25986774	25978886	26501902	19547786	23508248	27052538	23235904	24961334	22191936	21806210	24638858	25314074	21799360	23677520	20715416	23816358	27406256	22051246	21781824	28184166	18692894	23813942	21696206	18865006	19141574	26545960	23860230	28076838	20937914	26521082	20344814	21147768	25907638	14745152	23039944	21050618	23343162	24559842	21774318
Dodecanoic acid (lauric acid)	9294906	8335005	7102081	7619557	8126548	7753023	7519208	7198038	6945634	7427222	7053872	7349976	7102486	6502716	5917050	6450066	7246168	6473172	7303934	6416991	8559713	6280060	7702432	6485244	5440087	6205198	6914189	7053238	7692933	7507805	7290911	5169308	7429715	7821152	7119278	7417030	7401272	7578930	8223646	8102059	7745600	6777983	7960338	9433572	4986754	6266566	7535396	6111314	7170403	7675087	7040124	6400098	7383035	6909951	7541063	7502571	7201549	5335644	6001630	7233345	6492910	5733905	7046510	6193232	6630584	7934584	6775402	6947511	6734470	7096020	45226192	5779920	6743210	6336880	7732331	12451968	7048790	8047163	6670574	7350045	10190248	8358260	7666699	7942088	6614830	7895340	5081566	6292654	6593776	7930714	7979472	7250080	5473632	7398012	7194665	7155767	7153919	6584846	7944797	7921268	7458545	7296540	7231606	6398810	6753927	7994468	7163601	7516466	7777074	5645148	6587258	7178766	5601688	6111964	8269244	7781198	7431655	6018892	7137725	6012132	6934663	7981194	5248640	6804623	6853990	5932666	8365686	5310339
Tetradecanoic acid (myristic acid)	18426280	18389534	14179047	17318710	17668400	13040500	15378459	15702395	15137339	16931436	17018498	15078687	15330644	13194624	9415389	14160231	13847611	10391357	14234981	9425741	16483545	13063548	15350676	13235260	10264643	13164000	14388604	14252957	15726263	13332899	13037792	9892555	11669117	15365051	12976799	13266051	14219693	15984025	14627793	13763343	16524769	10921671	16698067	18522400	8350036	11438413	15330181	11455479	13406060	18601140	14279243	14353311	12729229	14903467	14394544	16306377	15580467	8558203	12147253	14854969	10280703	13050280	13459425	12526093	10107515	14826171	12235289	12959048	13191619	12851523	18138072	11524840	15394804	10065137	15764251	19796822	16148381	15958544	10319089	15546207	22016356	15255909	16694804	15717125	9217151	16503409	11207527	10937549	14383872	13787243	15050600	13715836	11863500	15816328	15702805	13578675	15538037	14798073	14786056	15595383	16720691	15964768	15214887	12396471	16395789	17155028	15076075	14834491	15616568	10836581	10430356	14233929	13293408	12462599	17575770	15976775	15364136	12580760	16136208	9137142	13390492	16509920	11768216	11445811	13601600	10023379	15752195	10061947
Hexadecanoic acid (palmitic acid)	95060648	93543488	86235640	97797992	104203584	83681008	93801704	80490488	80039544	77722680	93716392	75036264	73513952	72813088	55687308	79546464	68704032	56996192	82381816	57813812	90983672	76851160	78022248	66236716	81510624	74795016	93327096	81147352	77298168	83117224	94920184	62656784	70461736	83967776	71653712	74922704	67656224	76314136	71397104	79710136	95369280	69145984	94244008	106776256	49268044	60251996	79311680	60004396	68036512	78576696	89709272	65441500	77395720	62488032	70106624	75262488	71457000	47232980	64900396	74594168	56564724	66641776	64901168	66596192	51213248	73430936	74279040	73510792	73053472	74012736	118973448	72782624	81657928	58791456	89487144	136305536	88516840	79357368	61647904	84709376	203177008	91377704	86415656	87394968	58155840	89516008	68221112	56713836	78823064	88064888	74165168	82594520	68038432	116049880	83013672	73506200	73786880	67198048	77936096	108687112	86375816	66982836	88295488	64962560	82632608	82344568	69796392	81168824	81966464	72681576	61661708	75114664	72403064	69538184	91174104	85654880	71566984	70489760	83716536	51842528	78422912	80385512	68437352	57800700	73143000	56491092	93604392	52377132
Octadecanoic acid (stearic acid)	154428784	125826072	108511912	98177920	140191952	104662232	118384736	112195712	102710528	120838696	134862320	106390184	100755584	86759880	80622664	108650376	91050120	91724872	111209688	92523240	140189776	92916184	93472096	76853344	85278208	88113640	121930144	96076448	103561728	100502552	111200280	78754496	88487432	124890688	85722496	97003432	101604736	97827288	101788888	105917224	130968384	98566584	128490360	137990016	79170648	90627160	111085288	78967744	88437056	123604992	99122680	87626816	91365960	97000576	106449760	101685544	98351168	67136048	82618536	94955328	81097536	78277840	78936264	72243720	89467352	108861432	93384008	101063768	86432392	97565080	152619248	90751528	106977632	91027032	117053472	180373712	117351960	107585064	93382168	100331288	222140528	129761912	114899016	120248888	78290520	106015104	87458312	94567240	109976856	107629192	113732608	124538792	84312296	147113888	113571000	106751976	111413736	82777184	97866728	136959232	109854816	95234752	107338552	89020088	109968856	111437112	99241856	102988096	117457752	95669240	81578008	89129920	94706424	86881304	116468744	105249176	98154200	87341024	117907096	71844520	101881376	126982528	87492320	92461784	95928200	85029368	114526976	83820664
Tetradecenoic acid (myristoleic acid)	501495	330433	333651	444424	334892	385366	454922	295063	282193	297652	339209	306123	331958	440569	293258	392826	375680	329024	367457	355158	375184	543404	471161	519327	376899	479960	430554	331665	389080	336697	308568	429984	448856	425823	399775	354530	418145	437709	417993	392791	373845	343790	381042	427610	385104	316342	321165	475644	396538	459391	297790	405009	557690	394907	333114	449353	452222	379957	365235	390409	414172	350549	409983	440914	307673	448431	458346	345187	366066	240979	458169	406947	470935	401760	470256	361131	439927	515831	367595	489977	558378	448929	492344	495072	384323	535039	399685	384967	324762	469727	428251	391601	437661	245240	405364	261177	399845	452210	476687	402611	454118	434752	407134	459641	418471	433602	338007	408671	289961	418127	381509	456901	420555	450798	446799	491713	489129	431478	446756	346386	515930	404015	513094	382856	448685	415294	399754	306854
Hexadecenoic acid (Palmitoleic acid)	2776501	2953652	2722772	3654920	2801733	2681043	3226629	2782416	2879259	2512913	2738362	2872796	2821146	2805221	2098583	2776080	2496102	2154870	2607998	2049173	3129004	2603989	3226379	2837413	2377002	3853465	2666753	2901418	3314881	2756372	2489330	2143242	2600028	3123601	2620804	2654601	2925634	3058899	2392674	2787936	3316317	2329839	3302271	3302605	2210215	2262020	3114960	2569022	2573453	2721677	2529614	2707317	2431180	2382558	2433247	2992990	2919706	1837639	2475617	2477025	1849162	2150237	2400911	2575038	2135518	3495360	2780528	2693749	2904033	2862877	3455301	2720090	3344591	2666733	3354988	3402572	3937591	3980160	2628197	3410461	3674353	3076930	3271392	3426582	2330013	3620929	2983413	2541423	2899650	3556756	3539283	3541585	2798089	2620973	3338570	2986685	3134788	3202049	3243017	3466640	3583142	3308836	3273955	3282949	3235269	3493387	2820166	3002595	2411894	2903883	2478795	3088629	3023802	2825158	3906444	3798955	3484518	2834992	3965244	2423518	4116490	3747269	3306591	2788311	3306155	2421514	3444587	2245949
Octadecenoic acid (Oleic acid)	10616369	10418893	10180069	12964725	14550437	11119237	12247117	12484485	9289051	9511763	13290449	8469955	9671757	8571293	6382756	8795785	7523490	7580591	9154396	6891476	11215680	8646755	11508749	8649378	8797152	9429577	9670360	8994744	10065212	8759923	7839790	6529361	5801477	8593699	7852259	7854415	8715927	9777501	6263425	7671623	11803208	9021185	13121624	12471593	7013072	7307708	13618864	7598110	7336934	10827523	10350743	7605120	7476774	7077111	8133943	9529569	10719087	6492432	8477793	8720832	7222749	7725416	7818435	7629706	6986726	11179741	8473109	8672923	9132757	9455191	11444059	9538508	13630349	9589691	12392068	14090973	11043528	15044333	9180202	11787276	12814091	11647140	12191243	12406391	7163434	10960671	9775655	9063468	9011427	10274803	12440240	11679373	8165111	9791250	11912083	11057612	10700623	10527167	13145567	11972913	11683185	11725429	13407683	9681655	11835537	10843352	9022837	10402843	8261411	9150406	10004499	11864731	14383315	13002431	16028809	13131616	13873573	12538341	14770048	12121096	16375675	16759476	16122360	12740243	14056843	9187430	15861807	10082489
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	1150817	818053	898268	1281113	1195774	940998	1045658	1275000	838994	689180	1082526	799474	904312	665731	533337	902594	707866	696931	961025	487671	1069409	991666	1382948	993423	800861	1872594	1032475	927416	1109966	953050	732409	808649	566779	857942	806447	751253	889603	1039981	553260	876449	1275832	815166	1002832	1101918	750624	674142	1146238	802045	708757	3073656	897009	684761	1490269	649253	660719	754538	890624	645594	793181	802351	476357	732858	788534	678515	674052	1006875	867590	1047801	984928	1003367	1219707	982033	1464190	826854	1171379	1195558	1262191	1394992	757949	1172062	1161677	1014293	982005	1131123	781656	1393297	1056002	774877	872417	977547	1030910	956107	917307	949232	1110144	1007583	927653	1032145	1132223	1110202	1090957	960510	951597	1075049	1043385	1022165	695582	1005312	709047	765708	847551	1146572	1011279	800554	1253504	994044	987205	948445	1093974	938135	1091312	1166132	1111288	818750	2268722	587134	2615752	754737
a-Linolenic acid (Octadecatrienoic acid)	73799	91766	53752	113940	73734	70448	73761	80714	71208	56846	90250	47314	66179	81903	43600	61459	68969	62892	87476	40901	89048	83463	121955	75871	65899	206245	83680	80196	108784	66353	66770	36193	50185	88560	80436	61623	75767	99931	42896	93555	96217	83621	105191	85384	72459	59466	102046	50208	106808	310131	98754	78949	131111	61118	91884	93607	113072	99612	95125	79368	81238	68415	68429	90592	52833	77574	84377	70634	40573	55363	111067	53016	87285	89639	97418	101046	72040	101342	60169	81564	94797	90511	85427	90418	83042	107293	70706	83800	44897	71470	87047	115197	56865	51841	69274	38773	71723	75166	91883	96353	105175	129995	71231	70856	88189	73529	56495	81807	56876	73694	50862	120660	54034	41663	94639	91818	82271	69063	74213	71931	107101	91306	99734	81736	404748	56953	357790	60157
Arachidonic acid (Eicosatetraenoic acid)	658055	1023387	956739	1092982	985999	679705	1016382	1040763	1205279	951690	1276307	1034121	883184	813740	592293	749861	693258	496242	833586	443717	1073512	692744	1011562	1087798	691688	823856	788464	900555	1116182	756862	683829	604725	586879	1219936	976224	1038743	987033	1014121	639611	933037	1120537	878381	1006218	827405	738178	750785	1275890	885307	936682	1406952	840986	883231	902530	804206	730758	1078601	1381789	758760	1007913	1098311	681567	777142	811504	946521	1163409	1746711	1504462	1809217	2132362	1298296	2134141	1415498	2313191	1707320	2318770	2778099	2183831	2482064	1449974	2043840	2385872	3540896	3645601	2431450	1390504	2177931	2502011	1653385	2093767	1702356	2431795	2635183	1790312	1577610	2255119	2695070	1933631	2891203	2561091	2256832	2874360	2557614	2283286	2423469	3015971	2312561	1460977	1804218	1540075	1964441	1716860	2295875	2037864	1314184	1858899	1375183	1332181	1309795	1616724	1059969	1418013	1797334	1867109	1422940	1743176	1069987	1596142	1086255
Docosahexaenoic acid	875805	1296005	1333103	1305088	1314370	1084767	1185276	1237214	1343813	1114395	1009499	1275775	1279072	1248939	864917	1140473	1070579	941511	1158815	891730	1451170	1069317	1257036	1324697	779572	1201379	1030317	1153533	1294768	1045379	959349	780704	937701	1310316	1285983	1103641	1266761	1394697	846643	1048512	1432329	1209760	1599306	1167756	857207	1009509	1673261	1238299	1064997	1494542	1183845	1210448	962533	1001593	994399	1278088	2004608	1207935	1377625	1596524	884386	1149395	1154224	1329159	1270383	1908982	1812154	1905676	2000320	1731427	2344019	1730880	1829493	1849675	2050830	2202076	2377175	2267259	1773520	2080020	1857584	2158799	2151994	2043706	1371327	1931632	1460887	1242600	1695120	1695741	1999784	2375240	1743375	1580052	2273951	2135798	1696696	2015743	2235508	2245018	2189446	2490690	2292567	2061680	2005183	2070587	1593781	1976302	1738024	1477743	1758787	1998747	1684446	1232002	1913166	1497911	1650098	1565930	1590868	1242574	1830348	2056510	1760689	1323354	1657414	1248238	1805996	1190354
Dodecanedioic acid	255039	256167	299602	283931	248156	314754	276742	306156	295007	253998	256213	208897	223804	283224	333130	272979	232625	228390	220082	245424	236549	338840	287004	313361	372821	316086	282757	271121	218472	239679	233941	355734	216786	246075	253899	225262	223267	217654	197504	311943	220605	256092	215792	221052	364661	241197	294410	354893	250572	303446	227967	341577	331488	252537	251840	238637	269504	353677	363640	284221	220301	303701	287814	267109	225067	217979	293029	272330	302084	260611	410655	310468	315537	232410	257553	260782	230239	221744	239193	277482	299534	213959	229482	213419	295762	214580	367941	250229	222720	214508	196367	218299	295558	266170	227128	230886	245415	310860	323226	242376	266439	287422	265014	362343	200930	232231	280145	378899	189645	345302	278355	289421	326130	352136	207950	178154	200535	328822	223732	288672	309512	203095	404573	257056	300180	258875	224239	330081
Eicosapentaenoic acid	241244	297782	277269	356689	335049	207063	335841	327157	318158	266520	283238	306042	268568	266735	219584	218142	268476	240733	277565	186896	359017	182926	726629	339782	254555	239155	260103	258583	415979	271145	274431	316750	259115	382794	381228	345636	355078	364166	205106	304083	427852	271604	338995	311756	257250	274725	306054	268250	373253	358272	280820	279426	313644	242545	289421	344083	514273	285042	266225	337369	223958	211544	239004	261698	423529	591358	490431	519103	487337	430137	656949	336603	755804	623764	762511	714060	907001	930115	561278	764262	733031	777835	898385	854437	478249	720818	720157	537874	440533	661777	674793	674389	412322	406634	602583	472377	574660	708547	879478	668128	929800	739166	727125	594651	684644	746998	438701	630852	488735	391722	643820	664556	425557	240969	597562	499538	510496	400583	508695	348914	395714	513469	516341	434636	442798	391609	456528	277312
(8Z-11Z-14Z)-Icosatrienoic acid	168164	232080	209032	293408	272818	239606	237473	303259	237259	215340	208968	162128	211262	184672	142690	180699	124281	150386	159314	161337	204123	181073	213077	210583	118809	156682	139152	235279	244889	174357	83851	122881	95982	160010	178548	184927	155564	206847	104824	181228	196411	200155	264834	177364	182936	170710	199844	179153	56117	97512	66091	68261	52518	64708	65792	60439	86634	56622	74882	84903	39728	80397	51255	108790	90655	151851	128257	174561	147557	150061	148566	153150	139914	144360	179220	185794	174895	183545	102623	144087	164842	256213	215837	167598	105087	155007	187620	117884	156366	116330	203073	193128	126988	152866	168714	186564	163571	211444	202623	167356	179434	167298	176578	152195	163062	164192	110738	127514	137970	182873	130261	169322	191746	139338	221139	159672	161746	134402	186613	118103	148733	185037	192414	146894	115777	127314	177891	108542
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	878046	1279246	1440454	1665029	1479056	1374408	1420502	1401809	1335930	1267050	964600	1233834	1160897	1173139	787344	1079189	987574	894701	966991	781503	1426938	1141248	1451105	1312302	789954	1000345	817945	1110838	1580543	1003078	679634	883906	802689	1181585	1176822	985961	1065470	1106372	717260	935104	1303586	1034611	1673016	1281645	956103	1028843	1513752	1145603	635265	594751	563015	526932	456399	458679	413346	567373	1074658	549072	739600	694580	354352	500166	486207	596503	782915	1391466	1301249	1220157	1174850	993627	1683384	1387250	1426674	1185007	1860260	1543208	1811518	2008379	980898	1453674	1358921	1608343	1672915	1552087	894415	1491177	1500643	1120213	1144179	1414213	1294459	1595444	1250595	962582	1400729	1546511	1210268	1602008	1705170	1620856	1818869	1511118	1677603	1624236	1460381	1338113	1074312	1331100	1094748	1345655	1060368	1464369	1192506	882453	1289214	1085344	899702	899591	1135339	659418	1191094	1361828	1359895	917155	1103626	781865	1147722	810820
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	r.t. (min)
L-aspartate	C00049	132.0301	0.5750
L-histidine	C00135	154.0624	0.6450
L-leucine/isoleucine	C00123	130.0873	0.6280
L-phenylalanine	C00079	164.0718	0.6470
L-proline	C00148	114.0559	0.6210
L-serine	C00065	104.0352	0.6140
L-threonine	C00188	118.0509	0.6100
L-valine	C00183	116.0716	0.6260
ATP	C00002	505.9888	0.565
ADP	C00008	426.022644	0.552
Adenine	C00147	134.047073	0.789
GTP	C00044	521.984131	0.561
GDP	C00035	442.01651	0.558
CTP	C00063	481.976898	0.548
CDP	C00112	402.011444	0.544
dCMP	C00239	306.04953	0.793
Cytidine	C00475	242.079788	0.611
UTP	C00075	482.961029	0.552
UDP	C00015	402.99527	0.541
UMP	C00105	323.028442	0.549
Uracil	C00106	111.019913	0.548
Allantoate	C00499	175.044357	0.571
UDP-glucose	C00029	565.047119	0.549
Flavin mononucleotide	C00061	455.097687	1.68
NADP+	C00006	742.068848	0.547
NAD+	C00003	662.101685	0.621
Phosphate	C00009	96.969673	0.576
Diphosphate	C00013	176.935699	0.569
D-Glucose	C00031	179.056183	0.613
D-Glucose 6-phosphate	C02965	259.022461	0.566
D-Fructose 1-6-bisphosphate	C00354	338.988373	0.544
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.990585	0.568
1-3-Bisphosphoglycerate	C00236	264.951843	0.559
2/3-Phospho-D-glycerate	C00631	184.985809	0.564
Phosphoenolpyruvate	C00074	166.975082	0.563
Pyruvate	C00022	87.008781	0.612
Lactate	C01432	89.024414	0.605
Mannitol	C00392	181.071854	0.608
D-Rhamnose	C01684	163.061371	1.742
Citrate	C00158	191.019577	0.573
2-Oxoglutarate	C00026	145.014267	0.569
Succinate	C00042	117.019478	0.578
Fumarate	C00122	115.003838	0.57
Malate	C00149	133.014297	0.568
2-Hydroxyglutarate/Citramalate	C02630	147.029861	0.57
Itaconate	C00490	129.019455	0.571
6-Phospho-D-gluconate	C00345	275.01712	0.561
Sedoheptulose 1-phosphate	C06222	289.032654	0.565
D-Ribulose 5-phosphate	C00199	229.011749	0.571
Glutathione	C00051	306.076752	0.608
S-Glutathionyl-L-cysteine	C05526	425.081146	0.569
Ascorbate	C00072	175.024872	0.528
Dehydroascorbate	C05422	173.009216	0.569
Dimethylglycine	C01026	102.055908	0.574
N-Acetylneuraminate	C00270	308.098755	0.576
UDP-N-acetyl-D-glucosamine	C00043	606.075134	0.555
CMP-N-acetylneuraminate	C00128	613.140442	0.548
Taurine	C00245	124.007568	0.609
Glycerol 3-phosphate	C00093	171.006409	0.572
Hexanoic acid (caproate)	C01585	115.076355	1.76
Decanoic acid (caprate)	C01571	171.138824	2.203
Dodecanoic acid (lauric acid)	C02679	199.170059	2.391
Tetradecanoic acid (myristic acid)	C06424	227.201324	2.653
Hexadecanoic acid (palmitic acid)	C00249	255.232819	3.045
Octadecanoic acid (stearic acid)	C01530	283.264374	3.632
Tetradecenoic acid (myristoleic acid)	C08322	225.185715	2.442
Hexadecenoic acid (Palmitoleic acid)	C08362	253.217346	2.695
Octadecenoic acid (Oleic acid)	C00712	281.248749	3.088
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	C01595	279.233093	2.757
a-Linolenic acid (Octadecatrienoic acid)	C06427	277.217438	2.543
Arachidonic acid (Eicosatetraenoic acid)	C00219	303.233185	2.659
Docosahexaenoic acid	C06429	327.233276	2.561
Dodecanedioic acid	C02678	229.144531	1.863
Eicosapentaenoic acid	C06428	301.21759	2.485
(8Z-11Z-14Z)-Icosatrienoic acid	C03242	305.24884	2.925
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	C16513	329.248901	2.685
METABOLITES_END
#END