#METABOLOMICS WORKBENCH lgafeira_20231120_024415 DATATRACK_ID:4469 STUDY_ID:ST003286 ANALYSIS_ID:AN005383 PROJECT_ID:PR002038
VERSION             	1
CREATED_ON             	July 1, 2024, 4:53 pm
#PROJECT
PR:PROJECT_TITLE                 	Interaction between NSCLC cells, CD8+ T cells and immune checkpoint inhibitors
PR:PROJECT_TITLE                 	potentiates coagulation and promotes metabolic remodeling- new cues on CAT-VTE
PR:PROJECT_SUMMARY               	Abstract Cancer-related thrombosis (CAT) and venous thromboembolism (VTE) are
PR:PROJECT_SUMMARY               	common cancer-related sequelae linked with high mortality, therefore finding
PR:PROJECT_SUMMARY               	predictive indicators is critical. Immune checkpoint inhibitors (ICI) are
PR:PROJECT_SUMMARY               	utilized in cancer immunotherapy to activate T lymphocytes against cancer cells.
PR:PROJECT_SUMMARY               	Recent retrospective investigations found that some individuals experienced
PR:PROJECT_SUMMARY               	increased VTE after receiving ICI. We postulated that ICI (anti-CTLA4 and
PR:PROJECT_SUMMARY               	anti-PD1) effect on immunological and cancer cells, as well as their
PR:PROJECT_SUMMARY               	interaction, contributes for an elevated risk of CAT-VTE. Our objective is to
PR:PROJECT_SUMMARY               	investigate this molecular interaction in order to uncover potential
PR:PROJECT_SUMMARY               	prothrombotic indicators. We pharmacologically modulated non-small cell lung
PR:PROJECT_SUMMARY               	cancer (NSCLC) cell lines in co-culture with CD8+ T lymphocytes (T CD8+)
PR:PROJECT_SUMMARY               	obtained from healthy blood donors. Nuclear Magnetic Resonance (NMR) metabolic
PR:PROJECT_SUMMARY               	remodeling analysis revealed differences in extracellular metabolite
PR:PROJECT_SUMMARY               	concentrations after T CD8+ and ICI treatment.
PR:INSTITUTE                     	ITQB NOVA
PR:LAST_NAME                     	Gonçalves
PR:FIRST_NAME                    	Luís
PR:ADDRESS                       	Avenida Republica
PR:EMAIL                         	lgafeira@itqb.unl.pt
PR:PHONE                         	00351 214469464
#STUDY
ST:STUDY_TITLE                   	Interaction between NSCLC cells, CD8+ T cells and immune checkpoint inhibitors
ST:STUDY_TITLE                   	potentiates coagulation and promotes metabolic remodeling- new cues on CAT-VTE
ST:STUDY_SUMMARY                 	Cancer-related thrombosis (CAT) and venous thromboembolism (VTE) are common
ST:STUDY_SUMMARY                 	cancer-related sequelae linked with high mortality, therefore finding predictive
ST:STUDY_SUMMARY                 	indicators is critical. Immune checkpoint inhibitors (ICI) are utilized in
ST:STUDY_SUMMARY                 	cancer immunotherapy to activate T lymphocytes against cancer cells. Recent
ST:STUDY_SUMMARY                 	retrospective investigations found that some individuals experienced increased
ST:STUDY_SUMMARY                 	VTE after receiving ICI. We postulated that ICI (anti-CTLA4 and anti-PD1) effect
ST:STUDY_SUMMARY                 	on immunological and cancer cells, as well as their interaction, contributes for
ST:STUDY_SUMMARY                 	an elevated risk of CAT-VTE. Our objective is to investigate this molecular
ST:STUDY_SUMMARY                 	interaction in order to uncover potential prothrombotic indicators. We
ST:STUDY_SUMMARY                 	pharmacologically modulated non-small cell lung cancer (NSCLC) cell lines in
ST:STUDY_SUMMARY                 	co-culture with CD8+ T lymphocytes (T CD8+) obtained from healthy blood donors.
ST:STUDY_SUMMARY                 	Nuclear Magnetic Resonance (NMR) metabolic remodeling analysis revealed
ST:STUDY_SUMMARY                 	differences in extracellular metabolite concentrations after T CD8+ and ICI
ST:STUDY_SUMMARY                 	treatment.
ST:INSTITUTE                     	ITQB NOVA
ST:LAST_NAME                     	Gonçalves
ST:FIRST_NAME                    	Luís
ST:ADDRESS                       	Avenida Republica
ST:EMAIL                         	lgafeira@itqb.unl.pt
ST:PHONE                         	214469464
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Not applicable
#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           	-	CD_A549_CTL3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_CTL3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_CTL2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_3_1_CTL2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_CTL3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_CTL3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_NIV3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_NIV3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_NIV2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_NIV2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_NIV3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_NIV3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_IPI3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_IPI3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_IPI3_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_IPI3_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_IPI3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_IPI3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_CTL3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_TW_CTL3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_CTL2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_CTL2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_CTL3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_TW_CTL3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_NIV3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_TW_NIV3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_NIV2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_NIV2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_NIV3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_TW_NIV3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_IPI3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_TW_IPI3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_IPI3_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_TW_IPI3_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_IPI3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_TW_IPI3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_CTL3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_3_1_CTL3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_CTL2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_TW_CTL2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_CTL3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_A549_3_1_CTL3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_NIV3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_NIV3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_TW_NIV2_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_TW_NIV2_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_NIV3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_NIV3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_IPI3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_IPI3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_IPI3_rep2	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_IPI3_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_A549_3_1_IPI3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_A549_3_1_IPI3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_3_1_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_CTL1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_3_1_CTL1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_CTL1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_3_1_CTL1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_IPI1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_IPI1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_IPI1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_IPI1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_3_1_IPI1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_3_1_IPI1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_CTL1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_CTL1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_CTL1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_CTL1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_IPI1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_IPI1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_IPI1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_IPI1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_IPI1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_IPI1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_TW_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_CTL1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_TW_CTL1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_CTL1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_H292_TW_CTL1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_TW_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_TW_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_H292_TW_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_IPI1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_TW_IPI1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_IPI1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_TW_IPI1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_H292_TW_IPI1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_H292_TW_IPI1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_3_1_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_CTL1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_3_1_CTL1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_CTL1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_3_1_CTL1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_IPI3_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_IPI3_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_IPI3_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_IPI3_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_IPI3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_IPI3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_TW_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_CTL3_rep	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_TW_CTL3_rep
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_CTL3_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_TW_CTL3_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_IPI1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_IPI1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_IPI1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_IPI1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_TW_IPI1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_TW_IPI1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_CTL1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_CTL1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_CTL1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_CTL1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_CTL1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	RAW_FILE_NAME(Subject)=CD_PC9_CTL1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_NIV1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_NIV1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_NIV1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_NIV1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_NIV1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	RAW_FILE_NAME(Subject)=CD_PC9_NIV1_rep3
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_IPI1_rep1	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_IPI1_rep1
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_IPI1_rep2	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_IPI1_rep2
SUBJECT_SAMPLE_FACTORS           	-	CD_PC9_3_1_IPI1_rep3	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	RAW_FILE_NAME(Subject)=CD_PC9_3_1_IPI1_rep3
#COLLECTION
CO:COLLECTION_SUMMARY            	Using Nivolumab (anti-PD1) and Ipilimumab (anti-CTLA4), we pharmacologically
CO:COLLECTION_SUMMARY            	modulated non-small cell lung cancer (NSCLC) cell lines in co-culture with CD8+
CO:COLLECTION_SUMMARY            	T lymphocytes (T CD8+) obtained from healthy blood donors. Two different
CO:COLLECTION_SUMMARY            	modalities of co-cultures were established: direct and indirect (with T CD8+
CO:COLLECTION_SUMMARY            	separated from the cancer cells by a Boyden chamber with 1.0 μm pores). 1H-NMR
CO:COLLECTION_SUMMARY            	spectroscopy was conducted to characterize the impact of the ICI in the
CO:COLLECTION_SUMMARY            	metabolic profile of the immune and cancer cells, as well as the influence of
CO:COLLECTION_SUMMARY            	immune cells in the cancer cells exometabolome. Therefore, the media obtained
CO:COLLECTION_SUMMARY            	from the established cultures were centrifuged at 135 × g for 5 minutes and the
CO:COLLECTION_SUMMARY            	supernatants were collected, stored at -80⁰C and later explored and defined by
CO:COLLECTION_SUMMARY            	NMR.
CO:SAMPLE_TYPE                   	Non-small cell lung cancer
#TREATMENT
TR:TREATMENT_SUMMARY             	For the experimental conditions, cells were exposed to Nivolumab (10 mg/mL,
TR:TREATMENT_SUMMARY             	OPDIVO), anti-PD1) or Ipilimumab (5 mg/mL, YERVOY, anti-CTLA-4) for 48 h. The
TR:TREATMENT_SUMMARY             	Nivolumab and Ipilimumab concentrations were chosen in accordance to the
TR:TREATMENT_SUMMARY             	posology indications from the European Medicines Agency (EMA) and using as
TR:TREATMENT_SUMMARY             	reference a male adult with 80 kg and 5 L of blood. The conditions were tested
TR:TREATMENT_SUMMARY             	in monoculture or in co-culture with TCD8+.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The supernatant samples were diluted in Milli-Q water to make up 540 μL (150
SP:SAMPLEPREP_SUMMARY            	μL of water was added to 390 μL of supernatant). A volume of 30 µL of
SP:SAMPLEPREP_SUMMARY            	phosphate buffer was added to the samples along with 30 μL of a solution of 2.2
SP:SAMPLEPREP_SUMMARY            	mM 3-(trimethylsilyl) propionic 2,2,3,3-d4 acid (TSP) in D2O. TSP was used as an
SP:SAMPLEPREP_SUMMARY            	internal reference for quantification and chemical shift.
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Bruker Ultrashield 500 Plus
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:NMR_COMMENTS                  	Spectra were acquired in a magnetic field of 500 MHz in an Ultrashied 500 Plus
NM:NMR_COMMENTS                  	spectrometer (Bruker) with a TCI-Z probe at Instituto de Tecnologia Química e
NM:NMR_COMMENTS                  	Biológica da Universidade NOVA de Lisboa (ITQB-UNL), Oeiras. The spectra
NM:NMR_COMMENTS                  	analysis was made in TopSpin 4.1 software, according to Chenomx NMR suite 8.11
NM:NMR_COMMENTS                  	and Human Metabolome Database (HMDB).
NM:SPECTROMETER_FREQUENCY        	500 MHz
NM:NMR_PROBE                     	5 mm prodigy TCI-z
NM:NMR_SOLVENT                   	10% D2O/90% H20
NM:NMR_TUBE_SIZE                 	5 mm
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	nanomoles
NMR_METABOLITE_DATA_START
Samples	CD_A549_CTL3_rep1	CD_A549_3_1_CTL2_rep2	CD_A549_CTL3_rep3	CD_A549_NIV3_rep1	CD_A549_3_1_NIV2_rep2	CD_A549_NIV3_rep3	CD_A549_IPI3_rep1	CD_A549_IPI3_rep2	CD_A549_IPI3_rep3	CD_A549_TW_CTL3_rep1	CD_A549_CTL2_rep2	CD_A549_TW_CTL3_rep3	CD_A549_TW_NIV3_rep1	CD_A549_NIV2_rep2	CD_A549_TW_NIV3_rep3	CD_A549_TW_IPI3_rep1	CD_A549_TW_IPI3_rep2	CD_A549_TW_IPI3_rep3	CD_A549_3_1_CTL3_rep1	CD_A549_TW_CTL2_rep2	CD_A549_3_1_CTL3_rep3	CD_A549_3_1_NIV3_rep1	CD_A549_TW_NIV2_rep2	CD_A549_3_1_NIV3_rep3	CD_A549_3_1_IPI3_rep1	CD_A549_3_1_IPI3_rep2	CD_A549_3_1_IPI3_rep3	CD_H292_3_1_CTL1_rep1	CD_H292_3_1_CTL1_rep2	CD_H292_3_1_CTL1_rep3	CD_H292_3_1_NIV1_rep1	CD_H292_3_1_NIV1_rep2	CD_H292_3_1_NIV1_rep3	CD_H292_3_1_IPI1_rep1	CD_H292_3_1_IPI1_rep2	CD_H292_3_1_IPI1_rep3	CD_H292_CTL1_rep1	CD_H292_CTL1_rep2	CD_H292_CTL1_rep3	CD_H292_NIV1_rep1	CD_H292_NIV1_rep2	CD_H292_NIV1_rep3	CD_H292_IPI1_rep1	CD_H292_IPI1_rep2	CD_H292_IPI1_rep3	CD_H292_TW_CTL1_rep1	CD_H292_TW_CTL1_rep2	CD_H292_TW_CTL1_rep3	CD_H292_TW_NIV1_rep1	CD_H292_TW_NIV1_rep2	CD_H292_TW_NIV1_rep3	CD_H292_TW_IPI1_rep1	CD_H292_TW_IPI1_rep2	CD_H292_TW_IPI1_rep3	CD_PC9_3_1_CTL1_rep1	CD_PC9_3_1_CTL1_rep2	CD_PC9_3_1_CTL1_rep3	CD_PC9_3_1_NIV1_rep1	CD_PC9_3_1_NIV1_rep2	CD_PC9_3_1_NIV1_rep3	CD_PC9_IPI3_rep1	CD_PC9_IPI3_rep2	CD_PC9_IPI3_rep3	CD_PC9_TW_CTL1_rep1	CD_PC9_TW_CTL3_rep	CD_PC9_TW_CTL3_rep3	CD_PC9_TW_NIV1_rep1	CD_PC9_TW_NIV1_rep2	CD_PC9_TW_NIV1_rep3	CD_PC9_TW_IPI1_rep1	CD_PC9_TW_IPI1_rep2	CD_PC9_TW_IPI1_rep3	CD_PC9_CTL1_rep1	CD_PC9_CTL1_rep2	CD_PC9_CTL1_rep3	CD_PC9_NIV1_rep1	CD_PC9_NIV1_rep2	CD_PC9_NIV1_rep3	CD_PC9_3_1_IPI1_rep1	CD_PC9_3_1_IPI1_rep2	CD_PC9_3_1_IPI1_rep3
Factors	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:A549 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:H292 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Monoculture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Indirect Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:No treatment	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Nivolumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab	Sample source:Non-small cell lung cancer cells | Cell line:PC-9 | Culture Type:Direct Co-culture | Immune checkpoint inhibitor:Ipilimumab
Acetate	1.2335	1.4439	1.355	1.5356	1.5238	2.1084	0.77	0.4694	0.8694	1.3464	1.1826	2.3384	1.9696	1.7881	1.0971	0.4671	0.4133	0.4133	0.5038	0.3499	0.618	0.6084	0.5314	0.41256	0.20988	0.311	0.2444	0.8013	0.6294	1.1696	1.8166	2.1626	1.9989	0.5988	0.592	0.4813	1.2322	1.3207	1.422	1.8406	1.112	1.4837	0.3514	0.3182	0.257	0.8641	1.39272	1.30428	0.4587	0.25248	0.37688	0.2587	0.1254	0.11516	0.2873	0.2657	0.2267	0.2212	0.2424	0.2267	0.1928	0.2755	0.1545	0.1594	0.1898	0.1623	0.1863	0.2172	0.2366	0.2186	0.2378	0.1981	0.0968	0.05184	0.04756	0.0506	0.0388	0.04704	0.0459	0.04672	0.07096
Alanine	0.3284	0.2761	0.3788	0.2713	0.385	0.3466	0.3934	0.374	0.374	0.2768	0.2285	0.3579	0.2615	0.364	0.344	0.3687	0.2291	0.291	0.14328	0.1887	0.1206	0.17652	0.1535	0.1414	0.15832	0.1946	0.15784	0.3032	0.2146	0.2024	0.3694	0.3741	0.3916	0.2636	0.1634	0.1928	0.2559	0.2059	0.2182	0.3632	0.34	0.3249	0.2639	0.2178	0.2439	0.3887	0.2194	0.367	0.1086	0.0655	0.1018	0.3086	0.2746	0.2628	0.4009	0.3488	0.3335	0.2988	0.2546	0.2785	0.3069	0.3243	0.2561	0.312	0.3019	0.2967	0.388	0.3493	0.3076	0.401	0.3171	0.3951	0.1432	0.12512	0.13828	0.1214	0.13152	0.13388	0.1475	0.12432	0.15152
Arginine	0.4807	0.4366	0.4886	0.7242	0.404	1.2303	0.7557	0.6928	0.6928	0.5134	0.5859	0.7283	0.759	0.8599	0.5243	0.5632	0.5364	0.5364	0.19828	0.6607	0.21268	0.22748	2.1883	0.27532	0.25344	0.6611	0.26444	0.3777	0.3654	0.3521	0.6129	0.6702	0.6317	0.6507	0.5961	0.566	0.6956	0.6222	0.6477	0.5368	0.5243	0.5572	0.7045	0.6699	0.6567	0.2947	0.23064	0.21192	0.2494	0.11008	0.11496	0.2494	0.14144	0.14992	0.3957	0.2933	0.3014	0.375	0.3815	0.4045	0.5039	0.5114	0.5177	0.4008	0.4167	0.405	0.4898	0.4847	0.4958	0.4429	0.4494	0.4949	0.4099	0.4012	0.4256	0.4077	0.407	0.4229	0.4998	0.4367	0.4575
Aspartate	0.1041	0.2369	0.1673	0.1366	0.192	0.1728	0.2028	0.1511	0.1511	0.1879	0.1557	0.2375	0.0916	0.1443	0.0777	0.2278	0.2507	0.2507	0.08456	0.0616	0.07416	0.1012	0.1488	0.09952	0.10636	0.1754	0.11016	0.0654	0.0586	0.0649	0.0655	0.0544	0.0627	0.1068	0.0906	0.0808	0.0703	0.0665	0.0857	0.053	0.0599	0.0592	0.0597	0.0365	0.0405	0.0339	0.02896	0.0286	0.0106	0.01756	0.0192	0.0306	0.0304	0.0286	0.0271	0.0297	0.0265	0.0383	0.0385	0.0411	0.0355	0.0301	0.0292	0.0343	0.0378	0.0262	0.0321	0.0389	0.03	0.061	0.0325	0.0611	0.027	0.0215	0.0227	0.0402	0.0331	0.0311	0.041	0.0351	0.0361
Choline	0.0974	0.1633	0.1704	0.1803	0.1834	0.1981	0.2583	0.1603	0.1603	0.2126	0.1485	0.1423	0.1182	0.4085	0.2725	0.1585	0.1143	0.43	0.1724	0.178	0.2089	0.2663	0.2365	0.2365	0.1374	0.2403	0.2403	0.068	0.0604	0.0486	0.0227	0.034	0.0281	0.0595	0.0645	0.0544	0.0419	0.0334	0.0388	0.026	0.0357	0.0439	0.0906	0.0508	0.0595	0.0309	0.03444	0.02616	0.0333	0.01152	0.03068	0.0233	0.02772	0.02688	0.0657	0.0626	0.0609	0.0626	0.0585	0.0602	0.0582	0.0693	0.0476	0.0513	0.0664	0.0604	0.0714	0.0668	0.0705	0.1439	0.0647	0.1318	0.073	0.0863	0.0755	0.0791	0.0611	0.0667	0.0663	0.0554	0.0641
Cystine	0.1509	0.1387	0.1943	0.1633	0.1469	0.15007	0.2215	0.2432	0.2432	0.1291	0.1718	0.1927	0.1533	0.1302	0.1662	0.1428	0.3547	0.1547	0.1956	0.1591	0.17932	0.16816	0.2645	0.1458	0.1724	0.2071	0.18284	0.1416	0.1409	0.1351	0.1025	0.1132	0.102	0.2513	0.2329	0.1809	0.2065	0.2228	0.1962	0.1005	0.1186	0.1113	0.2409	0.1717	0.1932	0.2442	0.1832	0.165	0.0701	0.0689	0.0748	0.1201	0.1067	0.0964	0.1312	0.1231	0.1211	0.0954	0.0939	0.0886	0.1106	0.1002	0.0981	0.0952	0.0996	0.0954	0.1424	0.1302	0.1734	0.1479	0.13	0.1115	0.1081	0.06052	0.1405	0.1284	0.1321	0.1116	0.117	0.099	0.1131
Formate	0.0328	0.0431	0.086	0.0301	0.0142	0.0905	0.0364	0.0352	0.0352	0.0548	0.0388	0.07081	0.974	0.075	0.0391	0.0409	0.0884	0.0884	0.0358	0.0174	0.0635	0.0491	0.0698	0.0698	0.0337	0.0311	0.0311	0.2076	0.1415	0.2235	0.176	0.2155	0.2387	0.1029	0.1421	0.0863	0.2205	0.1682	0.2129	0.1849	0.1868	0.1847	0.0591	0.0731	0.054	0.1391	0.1401	0.1929	0.0395	0.0381	0.0819	0.6395	0.0779	0.0607	0.0464	0.0425	0.0446	0.0378	0.0358	0.0442	0.0496	0.0437	0.0385	0.0348	0.0469	0.0433	0.0584	0.0551	0.0448	0.0425	0.0443	0.0405	0.0498	0.0434	0.0461	0.0385	0.0353	0.0402	0.0549	0.0454	0.0488
Fumarate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.0019	0.0018	0.0026	0.0036	0.0055	0.0034	0.0009	0.0002	0.0035	0.003	0.0035	0.0031	0.0034	0.0053	0.0048	0.0061	0.0064	0.0056	0.0087	0.0098	0.007	0.0052	0.0031	0.0034	0.0052	0.0031	0.0034	0.005	0.0048	0.0052	0.0058	0.0063	0.0059	0.0059	0.0061	0.0067	0.006	0.0066	0.0041	0.0045	0.0046	0.0059	0.0035	0.005	0.0044	0.0068	0.0057	0.0072	0.0059	0.0068	0.0077	0.0077	0.0057	0.0075
Glucose	15.1387	15.901	18.8249	14.0364	14.3495	14.9583	14.4246	18.2226	18.2226	19.0821	19.6902	19.0254	11.8337	19.1707	11.0591	19.0104	17.5671	17.5671	20.069	22.5498	21.2185	12.8466	18.4319	18.4319	18.3623	23.4488	23.4488	22.4173	23.8724	23.107	22.7441	24.7188	24.0764	21.6675	22.7994	22.7959	22.3231	23.5251	25.3261	22.5466	22.7749	22.2399	23.0666	23.4005	24.5027	22.9634	23.6772	23.8429	21.9014	19.1659	23.2583	22.9014	23.6338	24.9567	25.4447	24.4587	24.4259	24.1861	24.2531	24.2819	25.9445	23.7473	21.1693	25.8079	24.1518	23.9512	25.1198	24.0046	23.8875	24.6877	24.6194	24.6046	24.6501	24.4914	24.3826	24.8999	24.2927	24.4845	24.262	24.4015	24.4777
Glutamate	0.1439	0.146	0.1145	0.2534	0.2016	0.2943	0.2682	0.2523	0.2523	0.3236	0.2994	0.3283	0.3626	0.3018	0.3854	0.3054	0.275	0.275	0.1092	0.1415	0.09752	0.08192	0.13525	0.141	0.09868	0.0926	0.11704	0.252	0.145	0.1916	0.3327	0.2901	0.2928	0.3157	0.2559	0.2145	0.4171	0.4316	0.4106	0.3104	0.3172	0.3274	0.2439	0.2214	0.2104	0.3423	0.3484	0.3511	0.2393	0.1224	0.1492	0.2393	0.1708	0.1558	0.2477	0.1804	0.1656	0.1459	0.1312	0.164	0.1338	0.1471	0.1305	0.1633	0.1922	0.1746	0.2416	0.2542	0.218	0.2291	0.193	0.2167	0.2047	0.207	0.1949	0.2354	0.1618	0.1813	0.2333	0.1556	0.1601
Glutamine	1.3381	1.5058	1.498	1.0946	0.1488	0.9664	1.8508	1.4276	1.4276	0.4995	0.5047	0.5954	0.3299	0.3734	0.3814	1.5023	1.2275	1.2275	0.28612	0.3456	0.29056	0.46624	0.4402	0.43608	0.6642	0.8429	0.73716	1.8103	1.8936	1.8241	1.3849	1.4978	1.4625	1.9633	1.9587	1.7079	1.6834	1.5864	1.808	1.2748	1.2648	1.4059	1.6725	1.6814	1.8848	1.5594	1.5115	1.0114	2.0053	1.9122	1.863	2.0053	1.8872	1.8793	1.7914	1.7277	1.7437	1.6754	1.6929	1.6558	1.4827	1.459	1.4097	1.412	1.5451	1.4694	1.8825	1.6685	1.7186	1.7294	1.6357	1.6885	1.5268	1.6097	1.6434	1.7009	1.6575	1.6334	1.669	1.7209	1.6989
Glycine	0.4899	0.5801	0.5242	0.4826	0.4961	0.5768	0.5161	0.4799	0.4799	0.6463	0.5217	0.685	0.676	0.6497	0.5391	0.6107	0.8538	0.7538	0.29016	0.2028	0.26948	0.30948	0.399	0.3196	0.28796	0.2706	0.28024	0.332	0.4401	0.448	0.2511	0.3581	0.3466	0.6417	0.5229	0.7674	0.3169	0.2148	0.3169	0.1057	0.1167	0.1233	0.7281	0.7233	0.7481	0.3788	0.3857	0.4882	0.138	0.166	0.0509	0.238	0.2306	0.2485	0.4305	0.6558	0.4357	0.543	0.643	0.6389	0.2619	0.258	0.2644	0.2034	0.2508	0.2541	0.1988	0.1904	0.1738	0.3377	0.3141	0.3793	0.1866	0.2132	0.2514	0.2547	0.2481	0.2597	0.1805	0.1886	0.1987
Histidine	0.1454	0.1101	0.1438	0.1183	0.1256	0.1741	0.1585	0.1423	0.1423	0.0921	0.115	0.1475	0.1302	0.1642	0.1675	0.134	0.0966	0.0966	0.14172	0.114	0.14184	0.14596	0.115	0.166	0.15528	0.1469	0.15876	0.2927	0.3177	0.2629	0.2409	0.2645	0.2507	0.3755	0.2876	0.2251	0.3137	0.2187	0.2449	0.2003	0.207	0.2211	0.3343	0.2041	0.2108	0.3789	0.225975	0.226825	0.15118	0.08775	0.1533	0.15118	0.2349	0.21165	0.2845	0.2345	0.2417	0.2294	0.2143	0.2264	0.3329	0.2738	0.2051	0.2605	0.2574	0.2217	0.3408	0.2605	0.269	0.3128	0.2453	0.3226	0.28	0.2439	0.2473	0.1802	0.2047	0.2361	0.3129	0.2539	0.2658
Isoleucine	0.623	1.0131	0.6704	0.4992	0.7176	0.9903	0.8509	0.6091	0.6091	0.8135	0.8611	0.9683	0.4027	0.7884	0.5099	0.6226	0.9244	0.9244	0.52164	0.4402	0.42056	0.65968	0.5957	0.63828	0.47564	0.4636	0.30544	1.1401	1.3781	1.1318	0.9258	0.9554	0.9889	1.4737	1.2572	1.0629	1.0131	0.9304	1.0308	0.7242	0.8213	0.877	1.2595	0.9721	0.9832	0.843	0.867675	0.569175	0.9281	0.46995	0.88785	0.9281	1.13655	0.83505	0.8927	0.8825	0.8998	0.9522	0.9024	0.9086	1.1696	1.0859	1.009	0.974	0.9865	0.9134	1.4012	1.1013	1.0635	1.1566	1.046	1.0803	1.2511	0.9887	1.0069	0.9558	0.9965	1.1025	1.3719	1.0387	1.1089
Lactate	2.1727	3.9994	2.9706	2.6963	1.3532	8.0135	1.9416	3.1248	3.1248	5.9527	3.271	7.6029	7.6355	7.9784	2.767	3.0703	2.0109	2.0109	1.219	0.7705	0.8438	0.8722	2.4694	0.98776	1.0808	1.4115	0.5646	2.0016	2.2225	2.1181	8.5465	7.5126	8.6543	2.1511	2.3653	2.7839	7.1544	8.9394	8.5861	8.8733	8.0567	7.925	3.3696	3.007	2.9522	2.0538	1.9871	2.0049	1.868	1.5894	1.9521	1.868	1.2124	1.9148	2.7851	2.5322	2.5231	2.417	2.3615	2.3972	2.5243	2.7956	2.3645	2.6276	2.5431	2.5836	2.9899	2.6772	2.6904	2.7829	2.7877	2.125	2.3545	2.5638	2.528	2.1826	2.5898	2.5746	2.2333	2.7129	2.7312
Leucine	0.526	0.857	0.5505	0.4741	0.5205	0.7737	0.675	0.4878	0.4878	0.4263	0.5732	0.61	0.3934	1.3428	0.7513	0.6034	0.8341	0.8341	0.61044	0.5704	0.42316	0.7236	0.5395	0.4158	0.54416	0.7484	0.59936	1.027	0.9146	0.9758	0.833	0.8872	0.8709	1.1515	0.9313	0.7852	1.0674	0.8447	0.8344	0.794	0.8062	0.8278	0.9844	0.7446	0.7703	0.6238	0.800325	0.4113	0.659	0.47685	0.606	0.759	0.848025	0.759825	0.8612	0.7661	0.7862	0.8844	0.8862	0.8615	1.031	0.9631	0.8377	0.702	0.8212	0.7747	1.0069	0.9573	0.9173	1.0905	0.939	0.9729	0.4016	0.35788	0.36748	0.4397	0.3576	0.37736	0.3687	0.39316	0.41976
Lysine	0.5878	0.5356	0.4997	0.8448	0.8082	0.8015	0.7427	0.5665	0.5665	0.4583	0.3632	0.4095	0.3685	0.672	0.5505	0.4001	0.7293	0.7293	0.3714	0.407	0.3952	0.46212	0.0684	0.46736	0.2756	0.2816	0.35264	0.5293	0.5194	0.7171	0.7294	0.8855	0.7453	1.1971	0.9126	0.8786	1.0043	0.8823	0.8834	0.6205	0.6194	0.7659	0.8341	0.7722	0.793	0.623	0.7545	0.510825	0.61592	0.478575	0.61592	0.729	0.7971	0.729	0.9572	0.845	0.8285	1.1198	0.9289	0.9392	0.9852	0.9289	0.8723	0.8617	0.8285	0.9289	0.9289	0.8285	0.9289	0.9318	0.8683	0.8498	0.9863	0.9443	0.9024	1.0871	0.8614	0.9065	1.1381	0.9835	1.0096
Methionine	0.2169	0.2027	0.1428	0.1769	0.1384	0.2996	0.1869	0.1341	0.1341	0.1838	0.1713	0.2483	0.2044	0.3211	0.2831	0.1885	0.2538	0.2538	0.04168	0.0971	0.13744	0.4136	0.3825	0.53	0.5436	0.41	0.584	0.2143	0.2192	0.2398	0.2323	0.2228	0.2168	0.434	0.3152	0.2347	0.2083	0.1841	0.1967	0.1996	0.1946	0.188	0.214	0.1884	0.195	0.2751	0.2603	0.2513	0.1829	0.1713	0.2149	0.1829	0.2157	0.205	0.2099	0.1975	0.2002	0.2448	0.2297	0.2147	0.3041	0.2662	0.2028	0.1845	0.2569	0.1388	0.2203	0.2577	0.2467	0.2623	0.2484	0.2787	0.2547	0.2299	0.2454	0.2148	0.2323	0.2416	0.3441	0.2367	0.3206
Nicotinurate	0.015	0.0206	0.0233	0.0176	0.0171	0.0554	0.0302	0.0234	0.0234	0.0391	0.04	0.0329	0.0182	0.0374	0.0113	0.0201	0.0451	0.0451	0.00412	0.0101	0.018	0.01676	0.0492	0.01968	0.0198	0.0351	0.01404	0.0541	0.0486	0.0441	0.0467	0.0376	0.0428	0.0589	0.0491	0.0414	0.0752	0.0518	0.0529	0.0474	0.0454	0.0487	0.0544	0.0377	0.0418	0.0853	0.056	0.0448	0.0387	0.0317	0.0455	0.087	0.0684	0.0456	0.0403	0.0382	0.0384	0.0555	0.0371	0.0427	0.0501	0.0414	0.0344	0.0475	0.0468	0.0384	0.054	0.044	0.0466	0.0562	0.0475	0.0498	0.054	0.0395	0.0424	0.0596	0.0452	0.0533	0.0475	0.0403	0.0495
Phenylalanine	0.2777	0.3399	0.2981	0.2629	0.3621	0.5774	0.3937	0.2769	0.2769	0.2755	0.3742	0.5692	0.3681	0.6034	0.4227	0.2954	0.4905	0.4905	0.4539	0.4819	0.5261	0.4857	0.6506	0.6506	0.2808	0.3841	0.3841	0.5481	0.5046	0.4954	0.3654	0.4026	0.4121	0.6785	0.4985	0.4521	0.478	0.4213	0.4414	0.3997	0.3923	0.4164	0.4068	0.4186	0.4263	0.4854	0.4498	0.4312	0.3201	0.3383	0.4424	0.4201	0.5637	0.4788	0.4798	0.4231	0.4304	0.3509	0.3461	0.3866	0.4372	0.4195	0.4004	0.408	0.4103	0.3637	0.5332	0.4284	0.4585	0.5234	0.4264	0.4623	0.5014	0.4218	0.451	0.4834	0.4297	0.449	0.575	0.4456	0.4604
Pyroglutamate	1.5853	2.1595	0.6595	2.6158	2.5966	2.9671	2.6523	2.563	2.563	2.3934	2.4603	2.88	2.5157	2.1291	1.7526	1.6934	1.675	1.675	4.53708	3.4203	1.28956	1.15224	1.493	1.7972	1.24124	1.7002	1.28008	2.2355	1.9913	2.255	2.4408	2.2705	2.4057	2.1994	2.1066	1.848	2.2096	2.0243	2.2441	2.0491	1.9181	2.0438	2.0922	1.8853	1.8486	2.0523	1.976125	1.2453	1.6488	1.437225	1.80525	1.6488	1.941975	1.68795	1.9301	1.7173	1.7609	2.3583	1.984	1.9818	2.5741	2.1125	1.8372	1.3842	1.7636	1.556	2.5649	2.5044	2.294	1.8802	1.9335	1.4567	2.1807	2.0034	2.0624	1.7431	2.0831	2.2256	2.6319	2.227	2.2818
Pyruvate	0.6207	0.3816	1.4942	0.656	0.1177	0.6338	1.7889	1.0886	1.0886	0.3096	0.313	0.5456	0.489	0.6667	0.2929	1.168	0.1004	1.1004	0.32172	0.2237	0.25988	0.27772	0.737	0.2948	0.80628	1.9083	0.76332	0.5918	0.67	0.4535	0.5995	0.4764	0.6122	0.1462	0.0734	0.1376	0.5205	0.5896	0.6442	0.7336	0.5307	0.6009	0.1764	0.149	0.1259	0.5962	0.2667	0.7118	0.1916	0.2879	0.2987	0.0916	0.063	0.0723	0.1266	0.1587	0.1136	0.1344	0.1479	0.1179	0.1688	0.1903	0.1148	0.1292	0.1426	0.1093	0.1952	0.1153	0.1487	0.1514	0.1086	0.1774	0.0916	0.0704	0.063	0.0549	0.0683	0.0634	0.0741	0.0675	0.0636
Serine	0.4107	0.5441	0.6175	0.6034	0.54	0.4999	0.6712	0.3898	0.3898	0.3231	0.53	0.7715	0.2416	0.5613	0.3847	0.4553	0.5999	0.5999	0.10848	0.1922	0.25652	0.11964	0.19022	0.36088	0.12788	0.41145	0.1658	0.7766	0.6353	0.5436	0.1088	0.1122	0.1047	0.4298	0.4737	0.4399	0.3401	0.1112	0.2028	0.1896	0.1518	0.142	0.4845	0.4547	0.4731	0.1092	0.0757	0.0926	0.0938	0.0611	0.0561	0.1938	0.1781	0.2417	0.6807	0.7179	0.7115	0.4967	0.4854	0.4352	0.3506	0.3194	0.2872	0.2162	0.2954	0.2836	0.9426	1.0786	0.8635	0.5831	0.5192	0.5917	0.6031	0.5441	0.5869	0.59	0.5709	0.6238	0.6155	0.6276	0.6886
Threonine	0.5175	0.7637	0.5731	0.5147	0.4414	0.471	0.6714	0.4361	0.4361	0.3779	0.3551	0.3554	0.5842	0.9042	0.7145	0.5346	0.789	0.789	0.36804	0.3574	0.34856	0.5648	0.6411	0.53644	0.29884	0.469	0.2276	0.2694	0.2729	0.1009	0.1092	0.1141	0.106	1.4963	1.4364	1.0282	0.2577	0.1269	0.2142	0.1258	0.1116	0.1144	0.9038	0.8836	0.858	0.5406	0.289925	0.4434	0.187	0.1586	0.1727	0.387	0.1636	0.6177	0.9208	0.7624	0.7054	1.092	0.8127	0.8109	1.0548	1.0213	0.9626	0.7136	0.901	0.8083	0.613	0.588	0.8347	1.0422	0.8884	0.9199	1.0037	0.9471	0.9526	0.9152	0.8382	0.8521	1.0428	0.9963	0.9883
Tryptophan	0.0307	0.0414	0.0413	0.0285	0.0125	0.0641	0.0531	0.046	0.046	0.0261	0.0228	0.0552	0.0321	0.0865	0.0663	0.0424	0.055	0.055	0.0291	0.0334	0.0509	0.0378	0.0839	0.0839	0.0432	0.057	0.057	0.0558	0.0432	0.0427	0.041	0.0338	0.0384	0.0781	0.0532	0.0413	0.052	0.0357	0.0401	0.0588	0.0414	0.0425	0.0541	0.0397	0.0421	0.0773	0.0597	0.045	0.11	0.0639	0.0595	0.11	0.071	0.0582	0.0562	0.0439	0.0419	0.0791	0.0555	0.0521	0.0588	0.0616	0.0455	0.0473	0.0687	0.044	0.0737	0.0607	0.0653	0.0603	0.0542	0.0518	0.0749	0.0728	0.0709	0.0497	0.0517	0.0528	0.0682	0.0528	0.0507
Tyrosine	0.4992	0.4344	0.2655	0.4748	0.606	0.438	0.3491	0.3238	0.4238	0.5438	0.569	0.5056	0.5189	0.5398	0.5796	0.4303	0.4581	0.4581	0.1544	0.1353	0.18324	0.264	0.2554	0.22216	0.19668	0.2713	0.14852	0.665	0.509	0.4172	0.4192	0.4232	0.4358	0.727	0.5051	0.3773	0.4457	0.3668	0.3999	0.3634	0.3199	0.3778	0.5924	0.3732	0.3797	0.4521	0.356325	0.265275	0.2696	0.14355	0.3054	0.3696	0.4326	0.3015	0.3436	0.4017	0.3994	0.4719	0.3514	0.382	0.4064	0.4229	0.3347	0.361	0.4214	0.3645	0.5076	0.4398	0.4125	0.4555	0.4086	0.4157	0.4319	0.3591	0.3907	0.4656	0.3862	0.4016	0.4584	0.4131	0.4293
Valine	0.5225	0.6893	0.6256	0.5184	0.5265	0.6215	0.7118	0.5201	0.5201	0.3198	0.4316	0.738	0.4521	0.8051	0.6218	0.5619	0.8699	0.8699	1.3244	1.2024	1.1824	1.3985	1.3307	1.3307	1.5419	1.3922	1.2922	1.3196	0.9828	1.0497	0.7942	0.8099	0.7858	1.2222	0.9327	0.8197	0.814	0.7499	0.7663	0.7905	0.7959	0.8049	1.1718	0.9165	0.9292	1.1221	1.0179	0.7777	0.6299	0.5066	0.7839	1.1299	1.1955	1.0521	0.8625	0.8099	0.8554	0.8977	0.8813	0.8346	1.0116	0.8992	0.8554	0.7845	0.9856	0.8706	1.0238	0.9829	1.0263	1.0772	0.9817	1.0622	1.0368	0.9234	0.9423	0.8649	0.9018	0.9394	1.2447	0.9665	1.0233
myo-Inositol	0.2672	0.2025	0.2676	0.2464	0.329	0.2291	0.2667	0.2261	0.2261	0.2269	0.2651	0.2301	0.1952	0.3267	0.1901	0.1961	0.1067	0.1067	0.1391	0.1995	0.2517	0.2397	0.3475	0.3475	0.2555	0.1754	0.1754	0.1705	0.1222	0.1204	0.1181	0.1122	0.135	0.1624	0.155	0.1669	0.1956	0.1555	0.1675	0.1343	0.1441	0.1461	0.2882	0.2248	0.2369	0.2039	0.1426	0.1616	0.0832	0.0932	0.0986	0.2832	0.1832	0.1863	0.389	0.3632	0.3734	0.2655	0.293	0.3001	0.2848	0.2617	0.2615	0.2595	0.2919	0.2833	0.3191	0.251	0.2776	0.3549	0.2513	0.2997	0.2129	0.2403	0.2265	0.3398	0.3229	0.3789	0.3553	0.313	0.3372
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Match	HMDB	PubChem	ChEBI	KEGG	METLIN
Acetate	Acetic acid	HMDB0000042	176	15366	C00033	3206
Alanine	Alanine	HMDB0000161	NA	NA	C01401	NA
Arginine	L-Arginine	HMDB0000517	6322	16467	C00062	5502
Aspartate	L-Aspartic acid	HMDB0000191	5960	17053	C00049	5206
Choline	Choline	HMDB0000097	305	15354	C00114	56
Cystine	Cystine	HMDB0250712	595	17376	C01420	NA
Formate	formate	HMDB0304356	283	15740	NA	NA
Fumarate	Fumaric acid	HMDB0000134	444972	18012	C00122	3242
Glucose	D-Glucose	HMDB0000122	5793	15903	C00031	133
Glutamate	Glutamic acid	HMDB0000148	33032	16015	C00025	5174
Glutamine	Glutamine	HMDB0000641	5961	18050	C00064	5614
Glycine	Glycine	HMDB0000123	750	15428	C00037	20
Histidine	Histidine	HMDB0000177	6274	15971	C00135	21
Isoleucine	Isoleucine	HMDB0000172	6306	17191	C00407	5193
Lactate	Lactic acid	HMDB0000190	107689	422	C00186	5205
Leucine	Leucine	HMDB0000687	6106	15603	C00123	24
Lysine	Lysine	HMDB0000182	5962	18019	C00047	5200
Methionine	Methionine	HMDB0000696	6137	16643	C00073	5664
Nicotinurate	Nicotinuric acid	HMDB0003269	68499	7563	C05380	1499
Phenylalanine	Phenylalanine	HMDB0000159	6140	17295	C00079	28
Pyroglutamate	Pyroglutamic acid	HMDB0000267	7405	18183	C01879	3251
Pyruvate	Pyruvic acid	HMDB0000243	1060	32816	C00022	117
Serine	Serine	HMDB0000187	5951	17115	C00065	5203
Threonine	L-Threonine	HMDB0000167	6288	16857	C00188	32
Tryptophan	L-Tryptophan	HMDB0000929	6305	16828	C00078	5879
Tyrosine	L-Tyrosine	HMDB0000158	6057	17895	C00082	34
Valine	L-Valine	HMDB0000883	6287	16414	C00183	5842
myo-Inositol	myo-Inositol	HMDB0000211	NA	17268	C00137	5221
METABOLITES_END
#END