#METABOLOMICS WORKBENCH lgafeira_20250108_041327 DATATRACK_ID:5513 STUDY_ID:ST003657 ANALYSIS_ID:AN006007 PROJECT_ID:PR002267
VERSION                          	1
CREATED_ON                       	01-13-2025
#PROJECT
PR:PROJECT_TITLE                 	Lactate-coated polyurea-siRNA dendriplex: a gene therapy-directed and
PR:PROJECT_TITLE                 	metabolism-based strategy to impair glioblastoma (GBM)
PR:PROJECT_SUMMARY               	Glioblastoma (GBM) is a highly lethal disease with limited treatment options due
PR:PROJECT_SUMMARY               	to its infiltrative nature and the lack of efficient therapy able to cross the
PR:PROJECT_SUMMARY               	protective blood-brain barrier (BBB). GBMs are metabolically characterized by
PR:PROJECT_SUMMARY               	increased glycolysis and glutamine dependence. This study explores a novel
PR:PROJECT_SUMMARY               	metabolism-based therapeutic approach using a polyurea generation 4 dendrimer
PR:PROJECT_SUMMARY               	(PUREG4) surface functionalized with lactate (LA) (PUREG4-LA12), to take
PR:PROJECT_SUMMARY               	advantage of glucose-dependent monocarboxylate transporters (MCTs)
PR:PROJECT_SUMMARY               	overexpression, loaded with selenium-chrysin (SeChry) and temozolomide (TMZ) or
PR:PROJECT_SUMMARY               	complexed with anti-glutaminase (GLS1) siRNAs to abrogate glutamine dependence.
PR:PROJECT_SUMMARY               	The anti-GLS1 siRNA dendriplex with PUREG4-LA12 (PUREG4-LA12-anti-GLS1-siRNA)
PR:PROJECT_SUMMARY               	knocked down GLS1 in the GBM cell lines. In two in vitro BBB models, these
PR:PROJECT_SUMMARY               	dendriplexes successfully crossed the BBB, decreased GLS1 expression and altered
PR:PROJECT_SUMMARY               	the exometabolome of GBM cell lines, concomitantly with autophagy activation.
PR:PROJECT_SUMMARY               	Our findings highlight the potential of targeting glucose and glutamine pathways
PR:PROJECT_SUMMARY               	in GBM using dendrimer-based nanocarriers, overcoming the BBB and disrupting key
PR:PROJECT_SUMMARY               	metabolic processes in GBM cells.
PR:INSTITUTE                     	ITQB NOVA
PR:LAST_NAME                     	G Gonçalves
PR:FIRST_NAME                    	Luís
PR:ADDRESS                       	Avenida Republica, Oeiras, 2780-157 Oeiras, Portugal
PR:EMAIL                         	lgafeira@itqb.unl.pt
PR:PHONE                         	214469464
PR:DOI                           	http://dx.doi.org/10.21228/M8KV62
PR:CONTRIBUTORS                  	Filipa Martins; Renata Arada; Hélio Barros, Paulo Matos, José Ramalho,
PR:CONTRIBUTORS                  	Valentín Ceña, Vasco D.B. Bonifácio, Luís G. Gonçalves, Jacinta Serpa
#STUDY
ST:STUDY_TITLE                   	Lactate-coated polyurea-siRNA dendriplex: a gene therapy-directed and
ST:STUDY_TITLE                   	metabolism-based strategy to impair glioblastoma (GBM)
ST:STUDY_SUMMARY                 	Glioblastoma (GBM) is a highly lethal disease with limited treatment options due
ST:STUDY_SUMMARY                 	to its infiltrative nature and the lack of efficient therapy able to cross the
ST:STUDY_SUMMARY                 	protective blood-brain barrier (BBB). GBMs are metabolically characterized by
ST:STUDY_SUMMARY                 	increased glycolysis and glutamine dependence. This study explores a novel
ST:STUDY_SUMMARY                 	metabolism-based therapeutic approach using a polyurea generation 4 dendrimer
ST:STUDY_SUMMARY                 	(PUREG4) surface functionalized with lactate (LA) (PUREG4-LA12), to take
ST:STUDY_SUMMARY                 	advantage of glucose-dependent monocarboxylate transporters (MCTs)
ST:STUDY_SUMMARY                 	overexpression, loaded with selenium-chrysin (SeChry) and temozolomide (TMZ) or
ST:STUDY_SUMMARY                 	complexed with anti-glutaminase (GLS1) siRNAs to abrogate glutamine dependence.
ST:STUDY_SUMMARY                 	The anti-GLS1 siRNA dendriplex with PUREG4-LA12 (PUREG4-LA12-anti-GLS1-siRNA)
ST:STUDY_SUMMARY                 	knocked down GLS1 in the GBM cell lines. In two in vitro BBB models, these
ST:STUDY_SUMMARY                 	dendriplexes successfully crossed the BBB, decreased GLS1 expression and altered
ST:STUDY_SUMMARY                 	the exometabolome of GBM cell lines, concomitantly with autophagy activation.
ST:STUDY_SUMMARY                 	Our findings highlight the potential of targeting glucose and glutamine pathways
ST:STUDY_SUMMARY                 	in GBM using dendrimer-based nanocarriers, overcoming the BBB and disrupting key
ST:STUDY_SUMMARY                 	metabolic processes in GBM cells.
ST:INSTITUTE                     	ITQB NOVA
ST:LAST_NAME                     	Gonçalves
ST:FIRST_NAME                    	Luís
ST:ADDRESS                       	Avenida Republica, Oeiras, 2780-157 Oeiras, Portugal
ST:EMAIL                         	lgafeira@itqb.unl.pt
ST:PHONE                         	214469464
ST:SUBMIT_DATE                   	2025-01-08
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_13_240524	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_13_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_14_240524	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_14_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_15_240524	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_15_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_01_240710	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_01_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_02_240710	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_02_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_126_240826	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_126_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_127_240826	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_127_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_128_240826	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_128_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_10_240524	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_10_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_11_240524	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_11_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_12_240524	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_12_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_11_240607	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_11_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_12_240607	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_12_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_13_240607	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_13_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_25_240607	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_25_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_108_240826	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_108_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_109_240826	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_109_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_65_240710	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_65_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_66_240710	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_66_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_71_240710	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_71_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_16_240524	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_16_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_17_240524	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_17_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_18_240524	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_18_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_05_240710	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_05_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_06_240710	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_06_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_132_240826	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_132_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_133_240826	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_133_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_134_240826	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_134_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_16_240607	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_16_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_17_240607	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_17_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_2_240529	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_2_240529
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_28_240607	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_28_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_29_240607	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_29_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_112_240826	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_112_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_113_240826	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_113_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_69_240710	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_69_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_70_240710	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_70_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_75_240710	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_75_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_03_240710	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_03_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_04_240710	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_04_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_129_240826	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_129_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_130_240826	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_130_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_131_240826	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_131_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_1_240529	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_1_240529
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_14_240607	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_14_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_15_240607	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_15_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_26_240607	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_26_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_27_240607	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_27_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_110_240826	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_110_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_111_240826	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_111_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_67_240710	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_67_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_68_240710	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_68_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_TW_73_240710	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_TW_73_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_4_240524	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_4_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_5_240524	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_5_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_6_240524	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_6_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_114_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_114_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_115_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_115_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_116_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_116_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_117_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_117_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_A_240710	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_A_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_1_240524	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_1_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_2_240524	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_2_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_3_240524	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_3_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_18_240607	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_18_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_19_240607	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_19_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_20_240607	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_20_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_30_240607	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_30_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_102_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_102_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_103_240826	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_103_240826
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_84_240820	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_84_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_85_240820	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_85_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_90_240820	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_90_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_91_240820	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_91_240820
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_7_240524	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_7_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_8_240524	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_8_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_S96h_9_240524	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_S96h_9_240524
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_122_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_122_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_123_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_123_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_124_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_124_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_125_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_125_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_C_240710	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_C_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_23_240607	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_23_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_24_240607	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_24_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_33_240607	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_33_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_34_240607	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_34_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_6_240529	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_6_240529
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_106_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_106_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_107_240826	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_107_240826
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_88_240820	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_88_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_89_240820	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_89_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_94_240820	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_94_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_95_240820	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_95_240820
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_118_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_118_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_119_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_119_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_120_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_120_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_121_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_121_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_B_240710	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_B_240710
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_21_240607	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_21_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_22_240607	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_22_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_31_240607	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_31_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_32_240607	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_32_240607
SUBJECT_SAMPLE_FACTORS           	-	RA_Psi_5_240529	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_Psi_5_240529
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_104_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_104_240826
SUBJECT_SAMPLE_FACTORS           	-	RA_SI_105_240826	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=RA_SI_105_240826
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_86_240820	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_86_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_87_240820	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_87_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_92_240820	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_92_240820
SUBJECT_SAMPLE_FACTORS           	-	Ra_SI_93_240820	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample Type=Supernatant; RAW_FILE_NAME(Spectra)=Ra_SI_93_240820
#COLLECTION
CO:COLLECTION_SUMMARY            	Cell culture Two commercial GBM cell lines, U-87MG (HTB-14, American Type
CO:COLLECTION_SUMMARY            	Culture Collection – ATCC, Manassas, Virginia, USA) and U251 (09063001,
CO:COLLECTION_SUMMARY            	European Collection of Authenticated Cell Cultures – ECACC, Salisbury, United
CO:COLLECTION_SUMMARY            	Kingdom) were used. The cell lines were cultured in Dulbecco’s Modified Eagle
CO:COLLECTION_SUMMARY            	Medium/Nutrient Mixture F-12 Ham (DMEM/F-12; 11330-032, Gibco, Life
CO:COLLECTION_SUMMARY            	Technologies, Grand Island, New York, USA), supplemented with 10% fetal bovine
CO:COLLECTION_SUMMARY            	serum (FBS; P40-37500, PAN Biotech, Aidenbach, Germany), 1% Antibiotic
CO:COLLECTION_SUMMARY            	Antimycotic (AA; P06-07300, PAN Biotech) and 50 µg/mL gentamicin (15750-060,
CO:COLLECTION_SUMMARY            	Gibco, Life Technologies). Direct exposition Cells were exposed to the
CO:COLLECTION_SUMMARY            	PUREG4-LA12-anti-GLS1 siRNA. The culture media of three conditions were
CO:COLLECTION_SUMMARY            	analysed: without dendriplex (control), with only the dendriplex (PUREG4-LA12)
CO:COLLECTION_SUMMARY            	and with the siRNA complexed on the dendriplex (PUREG4-LA12-anti-GLS1 siRNA).
CO:COLLECTION_SUMMARY            	Transfection with anti-GLS1 siRNA Cells were transfected with anti-GLS1 siRNA in
CO:COLLECTION_SUMMARY            	lipofectamine 2000 (11668019, Invitrogen). Lipofectamine 2000 and siRNA were
CO:COLLECTION_SUMMARY            	incubated separately with DMEM/F-12 without FBS for 5 min, 37 ºC and then the
CO:COLLECTION_SUMMARY            	two suspensions were mixed and incubated for 20 min, 37 ºC. After incubation,
CO:COLLECTION_SUMMARY            	cells were exposed to the mix, in a final concentration of 30 nM siRNA,
CO:COLLECTION_SUMMARY            	according to the manufacturer’s protocol. In the case of the transfection, the
CO:COLLECTION_SUMMARY            	culture media of three conditions were analysed: without transfection (control),
CO:COLLECTION_SUMMARY            	transfected without siRNA (lipofectamine) and transfected with the siRNA
CO:COLLECTION_SUMMARY            	(anti-GLS1 siRNA). Transwell experiment For the BBB (transwell) in vitro model,
CO:COLLECTION_SUMMARY            	mouse BALB/c brain endothelioma cell line b.End3 was used (CRL.2299, ATCC). This
CO:COLLECTION_SUMMARY            	cell line was cultured in Dulbecco’s Modified Eagle’s Medium (DMEM) high
CO:COLLECTION_SUMMARY            	glucose (11965092, Gibco) supplemented with 10% FBS, 1% AA and 50 μg/mL
CO:COLLECTION_SUMMARY            	Gentamicin. A normal human astrocyte cell line was also used, iNHA (NHA variant
CO:COLLECTION_SUMMARY            	immortalized with SV40) (CC-2565, ATCC). This cell line was cultured in
CO:COLLECTION_SUMMARY            	DMEM/F-12 supplemented with 10% FBS, 1% AA and 50 μg/mL Gentamicin. A BBB in
CO:COLLECTION_SUMMARY            	vitro model was established. In this model, a transwell insert (9321002,
CO:COLLECTION_SUMMARY            	cellQART 24-Well Insert 1.0 µm pore PET translucent, Northeim, Germany) with a
CO:COLLECTION_SUMMARY            	microporous semipermeable membrane was inserted in a 24-well plate and separated
CO:COLLECTION_SUMMARY            	the upper (luminal, blood side) and the lower (abluminal, brain side) chambers.
CO:COLLECTION_SUMMARY            	In the BBB model with iNHA (human astrocyte cell line NHA variant immortalized
CO:COLLECTION_SUMMARY            	with SV40), the bottom of the inserts was precoated with 0.001% Poly-L-Lysine (L
CO:COLLECTION_SUMMARY            	7240, Biochrom AG, Darmstadt, Germany) for 45 min at room temperature. iNHA were
CO:COLLECTION_SUMMARY            	plated on the lower side of the insert, which was upside down until cells’
CO:COLLECTION_SUMMARY            	adherence. Then, b.End3 cells were seeded on the inserts after 1 h coating with
CO:COLLECTION_SUMMARY            	2% matrigel DMEM without FBS and antibiotics, at 37 ºC. After 3 days in
CO:COLLECTION_SUMMARY            	culture, 550 nM of hydrocortisone (H4001, Sigma-Aldrich), was added. On the 6th
CO:COLLECTION_SUMMARY            	day after seeding, 5 × 104 cells/well GBM cells were seeded in the 24-well
CO:COLLECTION_SUMMARY            	plate, on the 7th day the inserts with b.End3 cells were placed on top of the
CO:COLLECTION_SUMMARY            	24-well plate with the GBM cells, and experimental conditions were added. Two
CO:COLLECTION_SUMMARY            	types of experiments were performed one with the only the brain endothelioma
CO:COLLECTION_SUMMARY            	cell line b.End3 (Transwell b.End3) and the other with also the astrocyte cell
CO:COLLECTION_SUMMARY            	line (Transwell b.End3 + iNHA). The culture media of three conditions were
CO:COLLECTION_SUMMARY            	analysed: without dendriplex (control), with only the dendriplex (PUREG4-LA12)
CO:COLLECTION_SUMMARY            	and with the siRNA complexed on the dendriplex (PUREG4-LA12-anti-GLS1 siRNA).
CO:SAMPLE_TYPE                   	Culture Media
#TREATMENT
TR:TREATMENT_SUMMARY             	Direct exposition Cells were subject to the dendriplex PUREG4-LA12 with
TR:TREATMENT_SUMMARY             	anti-GLS1 siRNA. As controls are used only the dendriplex without siRNA and
TR:TREATMENT_SUMMARY             	without dendriplex addition. Transfection with anti-GLS1 siRNA The cells
TR:TREATMENT_SUMMARY             	transfect with siRNA, cells transfected without siRNA and without conditions are
TR:TREATMENT_SUMMARY             	grown in the conditions described before. Transwell experiment In the two
TR:TREATMENT_SUMMARY             	different transwell models, cells are subject to the dendriplex PUREG4-LA12 with
TR:TREATMENT_SUMMARY             	anti-GLS1 siRNA. As controls are used only the dendriplex without siRNA and
TR:TREATMENT_SUMMARY             	without dendriplex addition.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After exposure to experimental conditions for 72 h, supernatants were collected
SP:SAMPLEPREP_SUMMARY            	and stored at -80 ºC, to be analyzed by 1H-NMR spectroscopy. To 60 µL solution
SP:SAMPLEPREP_SUMMARY            	of 1.5 M potassium phosphate buffer (KPi, pH 7.4), NaN3 2 mM and
SP:SAMPLEPREP_SUMMARY            	3-(trimethylsilyl)propionic-2,2,3,3-d4 acid (TSP) 0.16 mM in D2O was added to
SP:SAMPLEPREP_SUMMARY            	540 µL of supernatant sample.
#CHROMATOGRAPHY
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
AN:ANALYSIS_PROTOCOL_FILE        	LG_GBM_Protocol.pdf
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance II+ 800 MHz
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:SPECTROMETER_FREQUENCY        	800
NM:NMR_PROBE                     	5 mm TCI cryoprobe
NM:NMR_SOLVENT                   	10 % D2O/ 90 % H20
NM:NMR_TUBE_SIZE                 	5 mm
NM:SHIMMING_METHOD               	Topshim
NM:PULSE_SEQUENCE                	noesygppr1d
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	mM
NMR_METABOLITE_DATA_START
Samples	RA_S96h_13_240524	RA_S96h_14_240524	RA_S96h_15_240524	RA_SI_01_240710	RA_SI_02_240710	RA_SI_126_240826	RA_SI_127_240826	RA_SI_128_240826	RA_S96h_10_240524	RA_S96h_11_240524	RA_S96h_12_240524	RA_Psi_11_240607	RA_Psi_12_240607	RA_Psi_13_240607	RA_Psi_25_240607	RA_SI_108_240826	RA_SI_109_240826	RA_SI_TW_65_240710	RA_SI_TW_66_240710	RA_SI_TW_71_240710	RA_S96h_16_240524	RA_S96h_17_240524	RA_S96h_18_240524	RA_SI_05_240710	RA_SI_06_240710	RA_SI_132_240826	RA_SI_133_240826	RA_SI_134_240826	RA_Psi_16_240607	RA_Psi_17_240607	RA_Psi_2_240529	RA_Psi_28_240607	RA_Psi_29_240607	RA_SI_112_240826	RA_SI_113_240826	RA_SI_TW_69_240710	RA_SI_TW_70_240710	RA_SI_TW_75_240710	RA_SI_03_240710	RA_SI_04_240710	RA_SI_129_240826	RA_SI_130_240826	RA_SI_131_240826	RA_Psi_1_240529	RA_Psi_14_240607	RA_Psi_15_240607	RA_Psi_26_240607	RA_Psi_27_240607	RA_SI_110_240826	RA_SI_111_240826	RA_SI_TW_67_240710	RA_SI_TW_68_240710	RA_SI_TW_73_240710	RA_S96h_4_240524	RA_S96h_5_240524	RA_S96h_6_240524	RA_SI_114_240826	RA_SI_115_240826	RA_SI_116_240826	RA_SI_117_240826	RA_SI_A_240710	RA_S96h_1_240524	RA_S96h_2_240524	RA_S96h_3_240524	RA_Psi_18_240607	RA_Psi_19_240607	RA_Psi_20_240607	RA_Psi_30_240607	RA_SI_102_240826	RA_SI_103_240826	Ra_SI_84_240820	Ra_SI_85_240820	Ra_SI_90_240820	Ra_SI_91_240820	RA_S96h_7_240524	RA_S96h_8_240524	RA_S96h_9_240524	RA_SI_122_240826	RA_SI_123_240826	RA_SI_124_240826	RA_SI_125_240826	RA_SI_C_240710	RA_Psi_23_240607	RA_Psi_24_240607	RA_Psi_33_240607	RA_Psi_34_240607	RA_Psi_6_240529	RA_SI_106_240826	Ra_SI_88_240820	Ra_SI_89_240820	Ra_SI_94_240820	Ra_SI_95_240820	RA_SI_118_240826	RA_SI_119_240826	RA_SI_120_240826	RA_SI_121_240826	RA_SI_B_240710	RA_Psi_21_240607	RA_Psi_22_240607	RA_Psi_31_240607	RA_Psi_32_240607	RA_Psi_5_240529	RA_SI_104_240826	RA_SI_105_240826	Ra_SI_86_240820	Ra_SI_87_240820	Ra_SI_92_240820	Ra_SI_93_240820
Factors	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U251 | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample source:U251 | Condition:Control | Method of exposure:Direct exposure	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample source:U251 | Condition:Control | Method of exposure:Transfection	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U251 | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U251 | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U-87MG | Condition:anti-GLS1 siRNA | Method of exposure:Transfection	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:Control | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample source:U-87MG | Condition:Control | Method of exposure:Transfection	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Control | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U-87MG | Condition:Lipofectamine | Method of exposure:Transfection	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12-anti-GLS1 siRNA | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Direct exposure	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	Sample source:U-87MG | Condition:PUREG4-LA12 | Method of exposure:Transwell b.End3 + iNHA	
2-Oxoglutarate												1.7000	11.7000	27.8000	21.1000														22.0000	9.1000	14.6000	9.3000	103.1000											56.6000	67.5000	12.0000	18.2000	4.9000																	9.5000	30.6000	9.6000	11.5000															11.5000	19.1000	7.5000	9.6000	32.1000											27.3000	11.4000	8.8000	7.0000	69.2000						
3-Methyl-2-oxovalerate	58.6000	53.0000	52.8000	81.8000	126.7000	6.8000	2.0000	10.3000	43.7000	41.5000	43.5000	58.7000	65.5000	75.1000	63.9000	12.7000	5.9000	51.5000	49.7000	64.5000	47.3000	39.8000	39.9000	57.7000	64.7000	14.0000	20.0000	16.9000	66.8000	68.9000	20.7000	66.8000	134.6000	2.4000	5.2000	49.2000	52.3000	49.2000	83.8000	85.2000	5.3000	7.6000	8.9000	26.7000	65.1000	62.1000	64.0000	64.8000	5.6000	4.9000	56.9000	54.2000	52.0000	30.4000	30.7000	27.5000	9.9000	13.8000	6.8000	10.5000	14.3000	30.1000	25.2000	35.9000	47.8000	45.7000	49.3000	46.6000	6.8000	4.5000	43.8000	17.3000	49.6000	38.7000	40.0000	32.3000	35.3000	10.9000	9.8000	10.2000	20.5000	14.9000	41.4000	43.2000	43.5000	42.4000	13.9000	8.3000	45.6000	50.1000	42.3000	44.0000	6.7000	8.1000	29.4000	7.0000	13.5000	42.9000	44.0000	43.6000	45.0000	7.8000	7.2000	5.8000	39.2000	42.5000	39.8000	38.9000
Acetate	198.7000	179.6000	163.4000	2262.8000	2530.2000	2943.7000	2289.9000	3104.6000	156.2000	104.3000	127.8000	3551.0000	3655.9000	4304.2000	3656.9000	5244.8000	5339.9000	8204.7000	8103.3000	9228.4000	122.8000	143.1000	139.0000	2216.5000	2017.5000	2128.8000	2676.7000	2977.9000	3443.8000	3418.1000	3001.6000	3301.3000	7041.1000	6112.6000	5329.7000	8436.2000	8030.0000	7679.9000	1868.5000	1921.3000	1755.9000	2067.8000	1866.4000	3107.2000	3250.6000	3163.0000	3033.7000	3103.7000	4752.7000	6364.1000	7672.4000	7683.9000	6926.2000	1099.3000	896.0000	884.7000	1872.7000	1580.9000	1759.2000	1446.1000	1951.2000	779.4000	672.6000	592.2000	4800.9000	4467.4000	4108.9000	4007.8000	4195.8000	4504.5000	7220.7000	7285.3000	8112.4000	7365.8000	663.2000	1068.1000	906.2000	2152.8000	1679.0000	2018.3000	2690.7000	2332.7000	3799.6000	4757.5000	4144.4000	3955.5000	2692.5000	5502.9000	7931.9000	8384.9000	7797.0000	8612.7000	1604.3000	1018.2000	1367.2000	1793.7000	2122.2000	3829.1000	4113.1000	3918.4000	3962.9000	2763.9000	5230.6000	5277.6000	7746.6000	6953.8000	6861.5000	7385.5000
Alanine	334.7000	327.4000	343.5000	422.1000	439.2000	482.7000	468.3000	616.2000	407.7000	410.6000	432.5000	441.6000	452.6000	537.2000	450.3000	215.6000	334.4000	555.4000	496.4000	523.8000	360.1000	327.4000	310.5000	495.0000	450.9000	245.5000	362.6000	302.4000	439.4000	437.1000	148.7000	419.7000	911.4000	330.0000	273.5000	449.7000	512.7000	411.0000	556.8000	503.2000	421.9000	485.6000	462.5000	166.9000	395.1000	377.9000	394.2000	391.4000	217.8000	276.2000	537.8000	455.5000	540.2000	103.3000	74.6000	87.8000	308.6000	314.2000	304.8000	301.1000	124.2000	271.7000	211.1000	259.5000	370.4000	342.4000	314.4000	341.4000	216.2000	260.3000	359.1000	359.5000	382.1000	329.7000	180.5000	164.6000	155.0000	337.3000	263.2000	291.0000	362.1000	209.8000	341.6000	407.8000	343.8000	332.5000	81.8000	203.1000	330.7000	371.1000	318.8000	351.9000	279.7000	168.2000	351.0000	304.3000	172.4000	341.4000	352.7000	300.1000	325.5000	66.5000	173.0000	172.2000	325.4000	309.2000	301.4000	295.7000
Arginine	438.2000	430.6000	396.6000		328.4000	672.3000	527.4000	275.5000	334.3000	331.3000	336.3000	481.8000	472.1000	544.5000	492.2000	582.5000	492.8000	561.6000	308.8000	364.0000	361.9000	338.9000	307.4000	340.4000	272.9000	188.3000	117.1000	554.4000	440.3000	458.3000	437.9000	433.4000	960.6000	327.3000	133.5000	307.1000	371.5000	320.6000	372.4000	239.0000	231.3000	234.7000	662.1000	418.3000	411.4000	428.9000	452.2000	445.1000	479.5000	374.0000	457.9000	327.9000	319.7000	498.0000	488.0000	467.6000	307.4000	688.0000	524.8000	591.5000	220.0000	158.3000	294.9000	517.8000	351.4000	513.0000	450.9000	426.9000	360.5000	366.3000	490.8000	437.1000	521.2000	409.2000	436.1000	366.3000	508.9000	655.5000	348.6000	598.8000	599.3000	586.6000	440.0000	548.4000	456.4000	456.3000	495.7000	424.6000	478.6000	480.7000	199.3000	505.6000	653.7000	374.4000	997.7000	679.9000	905.6000	311.0000	465.5000	399.2000	460.5000	399.8000	130.8000	119.2000	498.3000	432.7000	404.2000	452.6000
Choline	84.8000	64.1000	63.8000	128.6000	151.1000	65.2000	82.1000	117.0000	55.7000	33.1000	78.0000	40.5000	44.9000	51.3000	49.8000	105.8000	94.6000	47.3000	21.3000	29.6000	64.2000	28.7000	32.4000	31.2000	31.7000	94.3000	121.9000	88.0000	50.8000	46.2000	55.6000	37.1000	42.0000	60.8000	95.5000	81.6000	53.1000	86.0000		25.9000	78.6000	65.4000	91.8000	81.7000	54.0000	42.4000	63.8000	68.1000	71.1000	132.9000	70.7000	23.0000	44.0000	83.3000	100.5000	95.3000	137.5000	126.8000	187.9000	182.6000	105.7000	65.7000	54.2000	74.3000	69.6000	38.8000	46.3000	89.0000	97.1000	73.9000	130.1000	49.6000	28.5000	36.5000	58.6000	88.0000	86.4000	82.2000	67.8000	103.7000	59.8000	80.6000	47.7000	53.1000	44.3000	69.2000	39.8000	108.7000	47.2000	46.1000	42.4000	47.5000	126.7000	57.4000	336.0000	78.1000	125.5000	43.9000	29.9000	52.2000	41.7000	69.8000	152.9000	84.6000	41.2000	26.8000	40.1000	35.1000
Citrate	48.7000	40.0000	47.1000	62.4000	73.1000	11.8000	6.1000	17.4000	47.8000	64.9000	54.8000	83.2000	82.8000	83.0000	79.2000	21.4000	17.8000	37.5000	21.0000	39.8000	37.4000	43.4000	27.3000	97.4000	55.3000	62.4000	152.3000	131.6000	84.6000	86.7000	43.2000	65.6000	230.5000	20.0000	60.1000	56.0000	73.6000	73.2000	101.2000	69.6000	68.1000	42.8000	65.4000	25.7000	88.4000	84.9000	64.2000	57.8000	32.1000	52.7000	81.3000	76.7000	62.7000	10.5000	12.5000	13.3000	37.6000	37.2000	13.6000	26.2000	12.9000	48.5000	55.5000	67.0000	33.2000	29.8000	30.2000	24.6000	9.0000	12.2000	13.8000	16.1000	16.8000	15.1000	58.7000	16.8000	19.9000	202.4000	123.7000	65.2000	53.6000	21.2000	40.6000	41.0000	35.4000	21.5000	32.8000	50.2000	21.1000	24.7000	22.5000	24.1000	49.8000	33.2000	97.5000	81.5000	93.4000	33.9000	47.3000	39.9000	37.0000	50.7000	11.4000	23.9000	17.6000	20.5000	22.2000	15.5000
Creatine				22.9000	26.4000	40.4000	30.3000	47.1000				9.2000	24.2000	10.6000	12.8000	38.7000	36.2000	34.6000	21.2000	38.7000				38.8000	22.1000	35.2000	30.4000	37.8000	29.9000	48.8000	12.2000	29.3000	35.7000	25.1000	19.0000	15.0000	14.9000	28.6000	91.7000	37.9000	27.6000	20.9000	18.0000	13.5000	27.6000	26.1000	27.6000	26.6000	38.9000	12.6000	15.9000	25.7000	39.3000				15.7000	42.8000	42.7000	42.8000	67.2000				16.1000	15.2000	15.5000	10.7000	38.2000	35.9000	9.2000	6.0000	7.0000	6.4000				24.5000	24.8000	26.8000	30.7000	41.6000	28.8000	15.5000	9.9000	42.2000	16.7000	21.0000	11.5000	12.1000	16.1000	9.9000	45.1000	19.4000	97.0000	41.1000	21.3000	30.8000	29.9000	42.4000	41.4000	19.4000	34.6000	28.7000	9.7000	7.1000	10.2000	28.3000
Creatine phosphate				21.4000	50.1000	19.0000	13.5000	18.5000				7.1000	8.0000	7.9000	27.8000	58.2000	14.6000	57.4000	63.1000	59.0000				74.0000	48.3000	21.6000	62.3000	26.0000	43.6000	48.4000	69.4000	38.8000	88.0000	47.4000	43.8000	54.2000	33.5000	59.0000	31.0000	51.3000	13.4000	29.7000	12.7000	24.7000	35.4000	36.6000	37.8000	34.5000	22.0000	39.8000	36.5000	49.3000	52.8000				16.7000	14.9000	32.7000	41.8000	89.1000				36.0000	13.5000	27.2000	9.2000	68.3000	55.9000	10.6000	11.2000	6.0000	22.6000				30.6000	24.4000	16.1000	31.1000	52.0000	37.7000	22.5000	8.8000	35.0000	33.0000	24.6000	12.6000	13.3000	18.4000	25.9000	20.9000	6.2000	69.7000	34.1000	66.1000	40.1000	40.3000	37.4000	30.7000	55.7000	48.3000	54.3000	28.9000	12.7000	10.7000	15.9000
Cysteine				115.6000	117.7000	147.5000	211.1000	176.7000				204.5000	97.4000	129.7000	104.5000	276.3000	55.2000	269.8000	61.1000	208.8000				52.9000	39.0000	190.8000	177.7000	137.8000	53.7000	113.8000	93.4000	65.9000	174.3000	207.7000	46.3000	23.8000	32.8000	52.5000	12.6000	342.8000	280.9000	167.4000	94.6000	76.4000	66.8000	98.9000	38.5000	54.2000	107.7000	260.1000	55.3000	138.7000	171.9000				245.4000	271.7000	150.4000	179.3000	103.0000				82.2000	55.3000	101.7000	65.5000	176.1000	181.3000	23.5000	60.9000	58.0000	40.8000				524.6000	260.5000	198.3000	286.2000	107.6000	90.4000	68.2000	63.0000	68.4000	155.6000	101.9000	153.9000	111.6000	110.7000	163.7000	117.8000	63.5000	968.2000	230.1000	206.7000	55.7000	116.0000	166.3000	21.8000	281.6000	336.6000	214.8000	195.3000	155.8000	173.0000	249.9000
Ethanol	1060.3000	1089.1000	1176.9000	35458.2000	3502.6000	9431.7000	7773.2000	9606.3000	1047.9000	1072.4000	1147.4000	4380.1000	4285.3000	5154.5000	4535.4000	3112.2000	2961.7000	3099.1000	3101.7000	3286.9000	1133.0000	1049.3000	1139.3000	2305.5000	2242.9000	8657.3000	9828.7000	9807.2000	4512.1000	4022.3000	1669.0000	4170.7000	9345.7000	3367.2000	3070.4000	3090.5000	2892.3000	2725.2000	3012.0000	2574.4000	8500.2000	9553.2000	8650.2000	1905.9000	4007.3000	3919.9000	4091.6000	3944.8000	2619.6000	3072.5000	3154.9000	3100.7000	2669.6000	1947.1000	1785.4000	1770.3000	9487.9000	9195.2000	7638.6000	7400.4000	2096.3000	1752.9000	1708.3000	1846.8000	4635.7000	4471.2000	4487.8000	5260.4000	3158.9000	2793.6000	2953.2000	3220.8000	3310.4000	3278.3000	1004.2000	1887.2000	1761.1000	9486.9000	7780.5000	7444.8000	8461.2000	2482.5000	4424.5000	5716.9000	4628.6000	4606.7000	1865.3000	3905.7000	3037.7000	3098.9000	3193.3000	3362.8000	8595.4000	4602.3000	6599.0000	8350.8000	2510.8000	4468.0000	5081.5000	4818.0000	5278.1000	1899.4000	2977.4000	3246.2000	3373.9000	3076.2000	3168.4000	3161.8000
Formate	89.7000	92.8000	96.3000	65.7000	92.0000	169.8000	141.2000	201.3000	67.1000	70.7000	73.0000	144.0000	147.7000	176.5000	154.2000	189.2000	172.4000	104.0000	101.4000	117.5000	78.1000	74.0000	74.2000	130.3000	129.0000	660.1000	748.5000	800.2000	230.3000	234.3000	226.6000	234.1000	458.5000	359.3000	384.5000	199.5000	175.0000	193.3000	150.1000	151.9000	349.8000	397.1000	388.2000	248.3000	214.5000	196.4000	204.2000	216.0000	188.1000	230.4000	185.0000	179.5000	173.7000	106.7000	91.3000	100.4000	132.0000	123.6000	139.9000	135.4000	91.4000	155.9000	129.4000	147.6000	267.3000	259.1000	237.7000	267.0000	186.2000	144.9000	146.2000	140.6000	169.8000	153.6000	107.0000	145.9000	139.4000	893.9000	593.3000	579.2000	711.9000	185.4000	302.5000	369.4000	378.7000	354.0000	226.3000	409.4000	233.1000	261.4000	233.1000	251.5000	361.0000	267.1000	311.6000	445.9000	170.0000	310.2000	315.1000	307.0000	306.7000	237.2000	232.1000	254.5000	225.4000	212.0000	228.2000	206.7000
Fumarate	2.3000	2.4000	2.8000	7.4000	6.3000	8.7000	7.2000	8.2000	3.0000	3.1000	3.3000	4.9000	5.4000	6.2000	5.9000	5.3000	5.6000	5.5000	5.0000	4.5000	2.6000	2.6000	2.6000	7.3000	6.2000	7.0000	6.6000	9.4000	6.4000	4.9000	1.8000	4.9000	13.4000	4.7000	4.5000	6.2000	4.1000	4.0000	7.9000	7.5000	7.1000	7.8000	7.4000	2.4000	5.3000	5.2000	5.0000	4.5000	3.9000	4.6000	5.0000	21.3000	4.8000	2.9000	2.5000	2.5000	5.0000	5.2000	5.9000	5.9000	4.6000	5.2000	4.2000	4.3000	3.4000	2.5000	2.1000	3.1000	4.6000	2.6000	3.9000	3.3000	3.5000	3.2000	5.4000	3.0000	2.3000	7.0000	5.8000	6.7000	8.4000	5.0000	2.5000	3.1000	3.0000	3.1000	2.3000	4.2000	3.8000	3.4000	3.3000	4.1000	5.9000	3.8000	3.2000	5.3000	5.1000	3.0000	3.1000	2.2000	3.2000	3.9000	4.9000	4.0000	3.8000	3.2000	2.9000	2.9000
Glucose	10631.4000	10419.2000	10402.5000	5168.7000	5221.3000	20723.1000	18209.1000	22395.3000	8005.0000	7462.5000	8574.0000	7667.8000	7859.4000	9028.4000	7142.4000	20926.4000	18293.8000	6075.4000	6107.6000	7484.2000	9508.1000	8311.8000	8006.9000	5617.9000	5677.2000	14621.5000	20075.1000	14743.0000	8053.8000	7545.0000	11462.6000	7378.6000	15188.3000	18123.0000	17692.1000	6119.9000	6306.2000	6249.8000	6521.0000	6047.1000	17058.5000	18753.8000	17863.6000	12192.7000	7364.7000	7287.0000	7406.2000	7352.7000	14204.3000	14592.3000	6732.4000	5972.7000	5627.0000	11141.7000	12455.6000	12506.7000	24004.7000	24861.9000	18918.1000	18522.1000	11450.0000	8962.2000	8728.2000	10721.0000	8693.4000	7613.0000	7851.3000	8349.4000	21775.5000	18474.6000	6296.4000	6023.5000	6647.8000	6402.2000	11201.9000	10441.5000	11352.6000	26109.5000	20233.6000	19076.3000	20361.1000	12105.2000	6851.2000	10207.8000	7648.3000	7884.0000	14079.0000	22417.8000	6803.6000	6834.7000	6081.0000	6394.4000	23273.0000	11157.1000	16988.4000	20425.5000	12815.3000	7485.3000	8098.9000	7776.7000	7940.0000	14980.1000	18524.9000	23419.8000	6440.2000	5982.0000	6013.8000	6298.0000
Glutamate	63.1000	62.9000	34.2000	204.4000	292.1000	197.7000	257.0000	268.2000	65.2000	91.5000	55.6000	218.2000	218.0000	209.3000	217.3000	216.2000	215.6000	201.2000	159.3000	195.5000	108.6000	95.7000	103.7000	222.7000	261.3000	145.3000	304.9000	452.9000	194.7000	186.3000	250.6000	197.2000	362.4000	145.7000	235.2000	208.1000	193.6000	226.9000	205.9000	180.1000	152.8000	213.6000	143.7000	224.0000	223.5000	189.5000	135.1000	159.9000	148.6000	204.9000	192.1000	206.9000	176.2000	204.9000	158.5000	206.5000	253.9000	197.4000	212.7000	288.6000	105.8000	144.8000	153.7000	203.9000	232.7000	229.7000	199.8000	163.8000	186.8000	169.0000	240.2000	227.7000	193.3000	250.2000	274.1000	241.4000	271.4000	172.3000	127.5000	218.3000	205.0000	109.5000	128.8000	304.7000	192.1000	245.6000	145.2000	223.0000	168.0000	284.7000	154.1000	200.4000	274.9000	159.4000	243.3000	156.1000	362.2000	188.4000	192.3000	183.4000	185.9000	191.4000	134.2000	113.0000	259.7000	242.0000	145.0000	113.4000
Glutamine	518.4000	530.7000	500.1000	106.6000	61.4000	269.4000	316.2000	204.8000	136.7000	124.4000	136.2000	563.0000	641.2000	587.5000	511.7000	793.4000	386.9000	699.0000	694.1000	606.5000	343.7000	321.5000	268.6000	81.5000	68.7000	377.4000	703.6000	567.4000	650.9000	556.9000	740.4000	557.1000	1347.5000	707.5000	732.3000	900.5000	934.5000	843.4000	131.2000	23.2000	307.6000	392.0000	517.5000	726.5000	644.0000	562.5000	589.6000	563.1000	668.7000	895.0000	861.9000	796.5000	735.7000	584.0000	667.4000	680.8000	852.1000	754.3000	684.1000	503.4000	159.8000	268.2000	302.9000	322.5000	804.2000	701.9000	822.6000	793.3000	612.0000	627.2000	676.0000	657.2000	751.4000	674.7000	78.3000	402.1000	470.9000	920.0000	702.2000	653.4000	883.1000	287.8000	760.0000	861.3000	745.4000	702.7000	815.0000	1339.0000	471.9000	688.0000	565.7000	669.6000	824.6000	425.8000	970.4000	756.1000	536.3000	742.9000	811.3000	712.2000	756.1000	970.1000	798.5000	784.8000	793.7000	661.5000	652.6000	578.4000
Glutathione	39.3000	23.1000	39.2000	12.0000	8.2000	13.1000	30.2000	10.9000	22.2000	25.3000	21.0000	22.4000	21.5000	6.4000	21.7000	19.0000	9.1000	15.0000	12.9000	19.6000	19.0000	29.7000	15.3000	48.2000	26.6000	5.3000	31.0000	23.0000	25.9000	33.3000	79.6000	30.3000	52.0000	40.8000	14.5000	17.7000	24.0000	69.6000	26.4000	22.2000	54.2000	29.4000	55.2000	27.8000	28.1000	28.2000	33.3000	32.7000	6.4000	23.8000	20.5000	20.0000	27.5000	13.7000	4.0000	4.5000	12.1000	15.0000	11.1000	12.9000	47.2000	35.9000	6.9000	10.2000	6.9000	10.1000	6.9000	24.3000	4.7000	8.7000	5.3000	6.9000	9.9000	13.6000	2.8000	5.4000	14.1000	58.5000	35.4000	114.3000	28.1000	10.0000	27.0000	34.8000	33.4000	29.4000	34.9000	50.9000	26.9000	24.5000	30.5000	42.0000	38.0000	33.6000	87.0000	30.4000	84.3000	28.3000	31.4000	27.0000	25.9000	30.3000	32.1000	30.8000	16.1000	9.2000	23.9000	17.3000
Glycine	133.0000	135.8000	125.7000	155.0000	209.1000	495.6000	416.5000	561.0000	77.1000	77.4000	85.6000	263.2000	263.1000	315.3000	263.3000	536.1000	465.4000	330.1000	314.4000	324.1000	109.6000	91.5000	91.8000	117.2000	132.0000	397.5000	470.4000	463.4000	267.3000	269.7000	285.8000	258.0000	518.5000	525.0000	494.3000	340.4000	317.4000	327.6000	137.3000	154.5000	413.7000	427.6000	403.0000	312.3000	254.8000	234.1000	262.5000	255.4000	420.2000	486.9000	340.9000	305.4000	291.6000	234.2000	206.9000	206.2000	526.1000	518.6000	457.7000	468.9000	235.2000	168.1000	158.7000	199.0000	389.1000	354.5000	342.5000	360.3000	541.8000	470.6000	333.7000	343.0000	374.6000	359.1000	160.0000	212.7000	235.6000	620.5000	462.4000	447.8000	540.1000	312.7000	344.1000	420.4000	365.5000	354.1000	324.0000	649.9000	355.3000	387.3000	327.6000	388.5000	537.9000	275.3000	500.6000	546.6000	306.2000	359.9000	359.9000	346.4000	350.6000	354.9000	506.2000	527.9000	353.8000	328.6000	329.8000	330.5000
Histamine	138.0000	139.2000	144.9000	48.5000	145.0000	19.0000	39.1000	12.3000	118.8000	79.1000	118.8000	5.5000	3.3000	5.3000	2.2000	51.4000	54.5000	58.6000	84.2000	84.4000	130.6000	112.9000	106.0000	114.4000	68.5000	11.6000	41.5000	36.4000	2.3000	2.5000	11.9000	3.6000	7.9000	85.9000	40.7000	46.1000	52.5000	44.8000	6.8000	138.7000	33.5000	56.2000	17.4000	188.2000	14.6000	3.5000	4.2000	2.1000	18.1000	7.9000	40.4000	46.8000	53.3000	82.6000	109.6000	129.2000	107.9000	249.7000	84.1000	24.9000	177.8000	108.1000	85.2000	144.1000	4.3000	6.7000	6.9000	5.2000	44.8000	59.5000	64.7000	51.4000	54.7000	34.3000	152.5000	154.0000	152.8000	95.4000	219.6000	46.9000	23.2000	44.8000	5.7000	5.6000	7.0000	5.2000	15.7000	34.4000	94.5000	75.0000	33.0000	87.3000	66.1000	18.4000	252.2000	105.4000	30.0000	4.6000	3.6000	6.8000	5.5000	115.3000	21.7000	88.7000	127.8000	43.0000	36.0000	33.9000
Histidine	9.8000	10.3000	11.7000	13.6000	11.1000	17.2000	18.6000	51.5000	11.0000	9.5000	9.8000	2.9000	2.3000	2.9000	2.4000	17.8000	23.5000	16.6000	8.5000	11.1000	10.7000	10.2000	10.8000	14.2000	14.8000	21.4000	26.7000	22.3000	4.3000	5.3000	153.0000	1.9000	4.5000	16.7000	17.6000	18.3000	13.3000	15.6000	3.5000	13.3000	9.8000	22.9000	22.3000	10.8000	4.0000	2.5000	2.6000	2.9000	17.7000	17.2000	11.9000	15.8000	13.5000	11.8000	11.9000	12.5000	18.4000	36.0000	9.3000	169.6000	15.8000	10.1000	9.5000	4.7000	4.3000	3.6000	3.2000	2.2000	20.9000	20.2000	7.9000	13.1000	12.8000	12.6000	11.3000	11.5000	12.5000	26.2000	29.4000	179.2000	252.8000	9.5000	3.2000	1.8000	2.3000	5.0000	163.8000	195.8000	86.2000	105.7000	55.1000	15.6000	189.0000	137.9000	34.6000	169.5000	15.6000	0.9000	2.5000	3.3000	1.3000	12.1000	26.3000	24.1000	10.7000	11.6000	116.7000	70.1000
Isobutyrate	4.3000	4.1000	3.9000	16.5000	12.6000	5.4000	4.6000	5.2000	4.9000	6.1000	5.5000	5.5000	5.5000	6.5000	6.8000	94.2000	120.9000	99.9000	27.7000	34.9000	5.0000	3.7000	3.1000	46.1000	141.4000	13.0000	7.2000	14.7000	4.9000	4.5000	1.4000	3.5000	7.2000	4.9000	4.3000	29.3000	24.1000	25.3000	35.0000	20.1000	2.5000	6.1000	4.3000	13.3000	5.8000	5.7000	5.3000	4.1000	4.3000	2.6000	28.4000	26.8000	28.5000	1.4000	1.4000	1.2000	3.3000	4.4000	2.7000	2.9000	187.5000	5.8000	4.7000	5.8000	3.3000	4.7000	3.9000	4.5000	6.7000	3.9000	23.8000	48.7000	7.0000	6.9000	5.6000	2.7000	1.8000	2.9000	3.2000	4.0000	4.7000	235.9000	4.4000	3.2000	2.8000	2.6000	2.4000	2.3000	7.5000	7.0000	8.6000	6.6000	4.2000	2.3000	14.6000	2.2000	4.7000	3.9000	4.3000	2.7000	5.3000	0.7000	1.6000	3.4000	6.7000	3.1000	5.3000	4.4000
Isocitrate				34.8000	49.9000	31.9000	24.5000	15.6000				139.7000	56.8000	69.5000	87.0000	70.2000	53.0000	54.1000	29.3000	33.2000				185.7000	24.7000	249.7000	86.0000	678.7000	19.0000	78.7000	86.7000	79.2000	228.2000	87.4000	76.6000	69.9000	62.0000	73.8000		132.7000	126.6000	86.6000	111.1000	129.6000	137.9000	78.5000	60.7000	64.7000	45.0000	22.7000	26.1000	31.1000	144.3000				17.9000	43.5000	13.2000	96.6000	42.3000				137.5000	5.4000	63.7000	20.9000	33.9000	23.0000	29.4000	6.4000	24.5000	22.4000				498.3000	277.2000	283.4000	126.8000	35.0000	48.1000	115.6000	40.4000	47.6000	55.2000	47.2000	31.0000	47.0000	39.0000	34.7000	173.8000	108.7000	194.9000	99.2000	221.7000	66.6000	53.3000	40.6000	48.7000	152.8000	30.0000	75.6000	157.7000	104.8000	55.6000	38.3000
Isoleucine	201.7000	196.6000	190.7000	293.2000	172.9000	373.4000	394.0000	542.7000	175.8000	161.6000	158.4000	324.9000	315.8000	360.4000	290.1000	357.1000	317.5000	365.9000	436.2000	451.1000	186.3000	158.6000	149.9000	101.8000	181.1000	179.3000	270.0000	363.7000	342.0000	299.8000	407.7000	297.4000	543.1000	334.7000	369.8000	315.1000	388.2000	367.3000	170.6000	147.3000	347.0000	310.5000	283.3000	322.3000	295.2000	259.2000	279.6000	288.6000	512.1000	237.4000	419.6000	266.7000	331.9000	265.0000	258.2000	251.5000	437.3000	555.6000	503.2000	406.1000	111.8000	131.0000	180.8000	248.3000	343.2000	342.0000	343.1000	339.5000	325.1000	497.7000	429.8000	359.6000	378.1000	275.3000	213.8000	231.1000	266.1000	601.2000	440.7000	442.2000	386.0000	423.0000	347.4000	401.7000	357.3000	331.8000	468.1000	392.0000	377.5000	379.0000	252.3000	429.9000	263.1000	260.6000	473.8000	484.9000	461.8000	361.4000	350.9000	347.6000	341.8000	497.7000	266.8000	199.7000	381.7000	285.2000	284.3000	341.8000
Isopropanol				190.1000	193.0000	35.6000	15.7000	51.6000				76.4000	53.1000	69.6000	45.7000	45.8000	29.0000	214.6000	75.1000	185.4000				278.5000	205.8000	35.7000	53.2000	105.9000	59.2000	62.6000	187.6000	66.9000	145.4000	26.0000	33.1000	116.5000	48.2000	25.3000	34.0000	162.8000	74.4000	68.2000	27.2000	221.9000	66.5000	50.9000	22.2000	32.9000	8.9000	33.8000	258.6000	41.6000	24.3000				11.5000	63.5000	18.5000	22.0000	36.6000				18.6000	100.0000	34.9000	47.2000	43.8000	36.7000	69.8000	34.2000	47.6000	46.3000				23.7000	67.5000	6.5000	28.5000	18.9000	47.3000	57.0000	76.6000	59.5000	214.3000	13.8000	47.1000	33.7000	67.8000	44.6000	8.4000	14.0000	105.6000	70.5000	68.6000	60.8000	27.0000	83.8000	54.2000	198.8000	38.1000	75.2000	70.7000	49.0000	62.6000	78.2000
Lactate	6544.4000	6121.3000	6461.1000	15320.6000	16365.3000	10799.8000	9553.7000	12244.8000	8822.6000	9029.8000	9006.0000	16348.0000	16936.5000	20232.0000	16881.9000	10988.8000	11478.3000	18276.2000	17912.8000	17841.9000	6604.0000	6347.2000	6104.4000	15439.5000	13990.9000	14749.1000	16404.4000	22876.5000	17828.8000	17485.9000	7755.1000	16973.7000	33562.2000	13621.6000	11939.5000	18780.3000	18096.7000	16507.1000	18264.6000	16815.6000	11711.2000	13655.6000	13201.7000	9141.5000	16151.6000	15416.2000	15910.5000	16344.1000	10644.8000	9589.7000	19639.6000	18257.5000	16661.1000	3427.0000	2739.1000	3127.5000	6991.8000	6774.4000	7729.7000	7253.7000	5178.9000	7751.4000	6314.4000	7480.4000	18535.0000	17144.7000	16197.2000	16684.3000	8960.3000	8518.2000	16229.9000	16843.4000	18625.0000	17069.5000	5141.1000	5276.9000	5149.2000	9380.3000	7580.1000	10519.0000	13673.3000	5422.6000	16920.4000	19600.4000	17570.4000	16780.0000	3884.5000	10296.6000	16912.6000	18046.5000	17133.2000	18398.0000	8671.3000	5743.6000	7605.0000	10004.9000	5324.2000	17625.7000	16865.8000	16440.0000	16459.0000	3936.8000	9499.6000	9863.3000	17339.1000	16420.9000	16684.3000	16201.7000
Leucine	204.4000	203.4000	173.3000	185.7000	204.4000	277.3000	393.1000	118.4000	159.6000	140.5000	140.0000	276.5000	291.9000	330.1000	272.1000	293.7000	729.8000	362.3000	361.2000	401.0000	159.8000	141.2000	131.0000	87.8000	148.4000	155.1000	86.5000	267.9000	274.9000	271.8000	371.5000	281.9000	487.4000	508.0000	206.7000	355.7000	324.7000	272.8000	179.9000	112.3000	58.2000	51.5000	124.0000	381.8000	260.0000	240.9000	302.3000	284.1000	432.9000	437.6000	299.1000	287.6000	269.8000	271.8000	255.8000	230.4000	571.7000	479.5000	483.4000	419.0000	338.8000	186.7000	171.4000	233.3000	280.1000	328.0000	273.5000	241.0000	377.5000	354.7000	295.2000	288.5000	327.1000	291.3000	189.9000	221.0000	227.1000	474.2000	242.7000	403.3000	385.5000	331.2000	331.5000	349.6000	294.5000	320.9000	431.3000	185.1000	312.0000	344.1000	334.2000	345.6000	520.4000	252.9000	510.1000	475.7000	303.8000	205.1000	315.7000	318.3000	297.9000	414.1000	139.0000	206.4000	222.7000	275.6000	297.8000	295.8000
Lysine	200.6000	232.7000	218.3000	182.4000	370.4000	228.6000	196.5000	243.0000	237.1000	223.0000	214.3000	332.8000	312.5000	365.6000	318.2000	214.1000	121.7000	444.0000	385.1000	416.6000	284.6000	245.1000	148.3000	169.4000	145.7000	166.6000	276.8000	195.0000	191.1000	175.0000	150.7000	277.6000	440.9000	338.9000	166.8000	476.7000	426.2000	262.4000	249.9000	234.8000	151.7000	143.0000	276.1000	265.8000	197.0000	272.6000	237.6000	264.0000	347.9000	173.5000	313.4000	387.8000	428.0000	267.1000	205.6000	229.2000	244.7000	394.5000	170.0000	245.6000	39.6000	222.0000	187.4000	234.9000	310.3000	326.0000	302.7000	380.1000	336.9000	252.1000	466.9000	311.1000	388.1000	370.3000	108.5000	216.4000	168.3000	346.1000	255.4000	221.7000	217.8000	221.1000	237.2000	312.9000	303.4000	244.8000	429.5000	321.1000	348.6000	369.6000	217.1000	336.4000	162.9000	187.9000	379.2000	231.2000	304.5000	259.6000	383.6000	327.8000	303.0000	381.0000	361.2000	107.2000	212.3000	336.9000	366.1000	300.0000
Methionine	70.9000	68.8000	75.1000	51.0000	39.1000	76.4000	45.4000	42.7000	55.7000	42.3000	53.4000	101.5000	108.1000	98.1000	93.0000	33.6000	36.5000	98.7000	287.9000	173.7000	61.3000	51.0000	51.4000	97.3000	69.6000	82.1000	115.3000	120.6000	102.4000	104.7000	53.4000	76.0000	162.3000	66.6000	80.0000	99.2000	76.1000	58.5000	63.8000	65.9000	95.6000	77.5000	56.3000	98.7000	87.4000	61.0000	111.4000	85.2000	27.5000	59.7000	85.2000	59.7000	79.3000	89.6000	78.4000	66.3000	97.4000	120.8000	67.9000	48.3000	68.5000	84.7000	65.5000	61.7000	104.4000	84.0000	90.5000	100.0000	55.8000	45.8000	91.5000	106.0000	61.8000	57.8000	62.9000	77.9000	81.8000	99.9000	77.7000	65.8000	66.2000	88.8000	75.5000	137.8000	79.9000	65.6000	151.0000	88.9000	65.8000	54.8000	42.5000	63.4000	92.1000	58.6000	172.6000	85.3000	95.5000	110.2000	63.5000	83.5000	87.1000	136.2000	101.9000	64.8000	49.7000	49.2000	56.1000	47.0000
myo-Inositol	53.8000	56.0000	32.0000	15.3000	15.4000	231.5000	144.2000	141.7000	29.4000	44.1000	45.9000	65.2000	44.3000	80.1000	65.2000	100.2000	77.5000	56.4000	79.6000	69.3000	44.6000	48.3000	43.2000	106.5000	92.2000	103.4000	99.3000	117.7000	44.3000	80.1000	36.3000	36.0000	59.7000	185.7000	116.1000	66.9000	84.3000	119.8000	88.0000	47.3000	119.3000	180.8000	134.8000	15.5000	43.7000	36.0000	34.1000	47.1000	102.5000	79.0000	64.8000	88.5000	71.6000	25.7000	14.7000	11.7000	143.8000	177.8000	108.4000	205.6000	83.9000	35.4000	9.2000	17.0000	59.4000	66.7000	30.2000	36.9000	161.3000	172.4000	70.5000	85.9000	20.5000	66.3000	31.8000	9.7000	48.4000	210.5000	109.3000	103.1000	213.2000	73.9000	76.1000	76.6000	39.6000	44.4000	76.6000	142.3000	63.1000	65.1000	66.5000	41.6000	84.7000	91.9000	249.7000	168.6000	66.6000	69.8000	51.5000	61.3000	51.3000	62.9000	70.6000	214.2000	60.4000	79.2000	39.2000	46.6000
Phenylalanine	171.1000	172.2000	168.1000	143.7000	208.4000	76.9000	62.2000	149.1000	139.1000	136.2000	142.2000	228.5000	238.2000	262.4000	228.6000	267.7000	237.2000	129.3000	201.4000	158.1000	165.5000	138.7000	130.0000	74.0000	122.5000	272.7000	132.2000	172.8000	228.6000	224.1000	253.9000	220.5000	358.6000	86.0000	134.3000	287.4000	270.6000	248.1000	209.3000	154.7000	50.0000	112.2000	69.9000	238.2000	211.0000	204.5000	204.7000	185.1000	69.1000	84.5000	255.4000	216.9000	200.8000	175.3000	158.8000	139.7000	344.2000	337.4000	255.0000	275.3000	208.1000	157.7000	140.4000	164.7000	259.6000	211.8000	228.4000	237.9000	149.4000	192.0000	261.7000	212.1000	229.4000	175.5000	167.4000	169.3000	188.7000	315.4000	260.6000	281.6000	316.4000	204.9000	233.0000	275.7000	234.7000	238.3000	260.7000	199.0000	257.1000	273.1000	108.5000	268.5000	291.7000	173.1000	244.8000	285.4000	238.4000	228.2000	236.3000	231.8000	229.9000	276.9000	32.0000	52.9000	168.7000	123.7000	68.0000	129.0000
Proline				45.3000	213.0000	208.0000	223.7000	295.9000				200.3000	160.6000	49.0000	74.0000	84.8000	69.4000	468.8000	158.1000	489.1000				128.9000	105.2000	556.4000	825.7000	347.7000	123.4000	135.5000	108.5000	171.3000	308.3000	459.5000	291.1000	129.5000	250.9000	187.5000	261.4000	118.0000	354.8000	436.9000	521.3000	200.7000	56.1000	103.2000	196.8000	156.5000	203.2000	296.1000	264.8000	319.1000	382.0000				319.0000	69.3000	195.8000	157.2000	145.4000				77.1000	78.1000	131.9000	203.0000	154.0000	164.8000	127.9000	110.9000	172.0000	154.5000				305.0000	250.3000	389.5000	411.7000	358.5000	171.3000	221.8000	170.0000	124.8000	172.6000	242.5000	213.4000	220.8000	242.1000	160.9000	485.1000	258.2000	436.8000	381.0000	302.9000	137.9000	170.3000	163.6000	201.5000	184.4000	188.1000	219.8000	353.0000	193.7000	229.3000	221.5000
Pyroglutamate	1187.5000	1092.8000	1006.9000	1506.0000	1643.0000	1767.4000	1647.6000	1729.9000	1145.2000	999.8000	1068.6000	1304.4000	1348.9000	1527.6000	1312.7000	1996.7000	1884.2000	1566.5000	1315.9000	1504.3000	1073.8000	927.5000	874.7000	170.4000	1132.7000	1033.3000	1349.0000	1814.9000	1076.5000	1008.2000	1543.2000	904.8000	2373.6000	1614.5000	1625.2000	1550.7000	1393.9000	1424.5000	1670.6000	1398.8000	1572.2000	1746.6000	1576.2000	1430.6000	1215.0000	902.0000	762.9000	806.0000	1381.2000	1505.7000	1322.6000	1324.6000	1191.2000	1047.1000	1033.6000	1079.7000	1315.1000	1950.8000	1788.7000	1930.2000	1195.1000	932.3000	875.8000	1180.0000	1391.2000	1284.7000	1082.4000	1319.1000	1412.4000	2309.6000	1472.0000	1359.0000	1706.9000	1573.8000	1045.6000	1033.3000	1056.4000	1340.1000	1095.1000	1069.2000	1213.4000	1232.8000	1135.5000	1449.2000	1070.0000	1002.8000	1456.6000	2146.4000	1363.6000	1568.3000	1215.8000	1291.0000	1736.8000	895.8000	1851.7000	1762.2000	1882.6000	1028.5000	1163.7000	1146.4000	1072.7000	1541.3000	2128.6000	1668.0000	1671.1000	1316.5000	1264.6000	1252.0000
Pyruvate	136.5000	131.4000	124.9000	648.8000	727.5000	2115.9000	1213.1000	2173.8000	126.7000	120.6000	124.4000	727.9000	756.5000	902.5000	743.0000	722.8000	551.4000	770.9000	780.5000	790.5000	121.0000	111.4000	108.2000	690.2000	666.9000	1216.1000	1460.2000	1544.4000	776.3000	755.9000	551.4000	742.0000	1624.2000	614.9000	691.6000	928.5000	944.8000	863.3000	795.3000	703.3000	698.6000	817.5000	799.5000	616.4000	715.1000	679.0000	676.8000	707.8000	453.1000	682.2000	915.0000	843.4000	819.3000	113.0000	75.0000	88.9000	2198.8000	1543.7000	1450.7000	906.6000	488.8000	283.0000	234.0000	286.3000	666.4000	631.4000	596.9000	635.4000	544.1000	407.1000	652.2000	645.7000	748.2000	579.3000	210.6000	164.9000	134.5000	1980.3000	1340.2000	1166.3000	1579.1000	745.3000	658.5000	860.3000	714.3000	678.9000	424.9000	896.6000	794.1000	937.7000	624.8000	845.5000	975.3000	457.3000	677.4000	954.3000	551.7000	684.6000	708.8000	654.3000	667.9000	431.1000	414.9000	547.0000	743.6000	740.2000	595.3000	726.4000
Serine	83.8000	113.1000	205.3000	20.9000	100.7000	240.2000	248.9000	52.3000	78.9000	48.5000	70.2000	168.4000	118.1000	111.7000	139.1000	70.7000	213.4000	84.6000	109.5000	140.0000	153.7000	57.0000	68.3000	166.2000	155.0000	183.6000	183.2000	161.7000	121.9000	125.5000	87.1000	137.4000	303.9000	101.5000	86.7000	72.2000	33.8000	12.1000	25.8000	225.9000	107.3000	168.9000	62.8000	142.9000	128.8000	118.6000	77.5000	113.8000	190.6000	88.6000	98.1000	41.7000	31.8000	176.1000	133.7000	132.8000	258.3000	220.5000	166.9000	298.0000	71.7000	175.0000	45.7000	65.3000	77.7000	87.4000	67.9000	90.7000	144.2000	146.9000	101.6000	143.0000	133.0000	79.6000	49.0000	167.1000	123.0000	259.4000	114.1000	212.3000	298.0000	156.6000	96.4000	105.2000	68.9000	109.6000	120.8000	344.4000	63.8000	98.3000	72.8000	83.9000	127.9000	75.1000	497.2000	103.4000	112.6000	84.1000	79.1000	161.4000	85.1000	188.4000	213.2000	185.8000	88.7000	103.4000	77.4000	133.9000
Succinate	20.9000	18.5000	41.8000	282.4000	340.7000	153.1000	113.4000	153.1000	18.2000	15.5000	24.5000	29.0000	30.9000	37.7000	30.5000	75.8000	104.0000	38.8000	49.0000	39.4000	20.3000	16.6000	16.6000	179.8000	142.8000	316.4000	257.4000	386.4000	102.4000	99.3000	30.5000	99.4000	123.9000	114.7000	114.8000	15.3000	3.7000	52.8000	285.0000	163.1000	114.4000	153.1000	109.5000	38.9000	28.1000	90.5000	94.1000	103.0000	99.2000	105.0000	177.6000	39.6000	69.7000	39.6000	23.3000	23.3000	252.9000	117.8000	96.0000	46.4000	112.3000	16.9000	32.0000	34.4000	75.5000	36.3000	62.4000	38.8000	208.2000	100.2000	24.9000	28.6000	43.7000	27.5000	29.2000	23.9000	32.6000	277.9000	191.6000	209.0000	250.8000	187.8000	41.7000	58.1000	71.0000	78.6000	50.9000	128.6000	67.7000	76.1000	89.6000	98.3000	140.8000	75.9000	41.7000	119.0000	47.5000	60.2000	50.7000	52.4000	63.1000	34.9000	207.5000	129.2000	20.7000	25.3000	56.8000	86.3000
Threonine	332.1000	326.0000	330.9000	219.2000	154.0000	682.8000	575.5000	693.4000	277.3000	244.9000	298.2000	484.5000	500.0000	594.9000	493.4000	766.9000	766.9000	545.9000	503.5000	577.8000	304.1000	252.0000	240.8000	342.3000	314.8000	486.2000	300.5000	592.0000	499.0000	485.3000	461.8000	447.5000	1053.6000	821.6000	738.3000	609.3000	525.0000	544.2000	385.0000	158.3000	587.3000	773.5000	662.2000	509.8000	461.4000	415.3000	461.4000	460.8000	574.2000	685.8000	553.9000	534.5000	496.0000	416.2000	383.3000	388.4000	781.4000	758.6000	662.6000	625.8000	381.5000	335.2000	303.2000	380.0000	442.8000	443.4000	468.0000	502.7000	818.5000	697.0000	480.7000	508.7000	573.9000	527.6000	347.8000	362.5000	400.6000	689.5000	221.5000	535.8000	648.6000	461.6000	475.2000	582.7000	508.7000	479.8000	536.0000	925.9000	520.2000	576.2000	505.9000	576.7000	699.6000	344.2000	816.9000	707.0000	285.0000	508.4000	508.7000	473.5000	496.5000	551.8000	706.0000	790.0000	532.5000	493.7000	510.2000	530.1000
Tryptophan	33.1000	29.3000	31.6000	14.7000	8.3000	16.0000	11.7000	33.0000	25.2000	21.3000	20.7000	37.3000	39.7000	44.6000	37.9000	12.2000	23.5000	36.3000	37.2000	33.4000	29.6000	21.9000	22.9000	7.7000	12.2000	7.9000	8.4000	21.4000	40.7000	32.0000	42.5000	36.0000	49.6000	39.8000	33.0000	35.8000	36.2000	37.1000		25.0000	10.4000	23.3000	20.2000	40.3000	28.9000	38.2000	33.4000	36.8000	32.8000	24.9000	26.3000	44.6000	35.8000	35.2000	34.2000	34.9000	24.2000	24.3000	24.6000	25.5000	29.8000	13.6000	15.3000	20.5000	39.7000	38.9000	41.2000	40.5000	17.1000	31.5000	21.8000	19.5000	40.6000	37.4000	27.6000	27.3000	29.1000	21.9000	23.6000	21.4000	17.5000	35.2000	38.7000	46.1000	36.6000	34.9000	33.2000	30.9000	29.7000	29.0000	27.7000	34.3000	21.1000	12.2000	11.8000	25.5000	30.4000	39.4000	36.2000	38.9000	37.2000	46.6000	35.7000	21.3000	34.9000	27.1000	36.1000	34.6000
Tyrosine	171.0000	164.7000	159.5000	74.0000	5.6000	126.0000	140.2000	141.3000	136.0000	133.5000	141.1000	231.9000	255.5000	175.2000	237.4000	193.9000	190.5000	229.2000	116.2000	266.9000	151.2000	130.9000	127.1000	144.0000	88.7000	36.1000	289.1000	31.2000	151.2000	167.5000	246.1000	144.4000	329.2000	102.0000	175.7000	230.6000	141.7000	128.2000	64.8000	149.3000	116.0000	119.4000	117.1000	129.5000	127.4000	124.4000	113.0000	100.3000	160.5000	141.4000	221.3000	106.0000	212.5000	192.0000	174.9000	177.9000	185.5000	150.3000	127.7000	166.4000	29.9000	156.6000	138.2000	171.0000	199.7000	131.0000	247.1000	189.1000	95.7000	179.5000	48.6000	187.8000	207.8000	216.8000	156.3000	163.7000	186.8000	198.8000	109.5000	134.2000	164.4000	167.9000	237.6000	166.1000	173.3000	141.6000	230.7000	207.7000	171.1000	181.7000	131.6000	197.3000	227.9000	73.4000	262.8000	124.4000	159.2000	167.0000	178.9000	166.3000	163.7000	281.3000	136.8000	210.4000	186.9000	55.2000	174.3000	87.8000
Uracil	6.0000	5.9000	7.3000			23.3000	26.9000	25.3000	8.0000	6.0000	8.2000	2.9000	1.7000	4.8000	3.1000	18.0000	18.5000				8.7000	6.3000	5.6000			18.4000	24.6000	26.2000	1.0000	4.3000	4.7000	5.2000	8.1000	9.7000	12.6000						20.3000	22.0000	14.0000	2.9000	2.9000	3.5000	2.3000	4.1000	12.0000	14.9000							23.4000	13.7000	13.1000	9.9000					1.5000	5.3000	1.9000	4.8000	16.9000	6.8000	8.8000	8.6000	8.9000	2.8000				26.1000	17.0000	19.5000	24.1000		2.4000	2.5000	2.4000	3.6000	12.3000	27.7000	8.5000	11.7000	9.1000	13.7000	16.9000	11.3000	16.1000	13.8000		1.9000	0.8000	2.6000	2.9000	2.7000	12.3000	12.0000	8.3000	5.7000	3.1000	5.0000
Valine	219.8000	219.1000	225.2000	197.3000	289.6000	535.9000	439.1000	574.2000	202.6000	170.2000	192.2000	325.7000	345.1000	394.3000	330.0000	602.3000	568.1000	381.6000	344.3000	446.4000	209.7000	175.9000	153.4000	202.2000	208.5000	454.6000	513.8000	472.6000	341.7000	300.4000	384.6000	329.2000	666.1000	610.2000	574.8000	403.3000	389.1000	356.3000	185.9000	185.8000	391.5000	506.7000	472.6000	386.4000	312.2000	301.4000	305.2000	316.6000	492.8000	551.3000	423.4000	386.3000	351.3000	294.3000	269.6000	287.1000	616.3000	603.0000	456.7000	474.4000	334.6000	210.8000	215.6000	245.9000	382.8000	367.2000	354.6000	361.1000	637.2000	567.0000	390.8000	379.8000	410.1000	376.6000	222.3000	256.5000	265.4000	616.8000	437.8000	460.9000	551.2000	389.7000	349.2000	426.3000	363.6000	368.5000	454.6000	704.6000	373.1000	404.1000	357.7000	407.0000	531.4000	275.1000	489.5000	523.0000	380.8000	370.2000	367.4000	355.2000	359.2000	497.1000	587.7000	666.4000	387.2000	356.1000	374.8000	389.1000
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
2-Oxoglutarate	51		C00026						
3-Methyl-2-oxovalerate	545106		NA						
Acetate	176		C00033						
Alanine	5950		C00041						
Arginine	6322		C00062						
Choline	305		C00114						
Citrate	311		C00158						
Creatine	586		C00300						
Creatine phosphate	587		C02305						
Cysteine	5862		C00097						
Ethanol	702		C00469						
Formate	283		NA						
Fumarate	444972		C00122						
Glucose	5793		C00031						
Glutamate	33032		C00025						
Glutamine	5961		C00064						
Glutathione	124886		C00051						
Glycine	750		C00037						
Histamine	774		C00388						
Histidine	6274		C00135						
Isobutyrate	6590		C02632						
Isocitrate	1198		C00311						
Isoleucine	6306		C00407						
Isopropanol	3776		C01845						
Lactate	107689		C00186						
Leucine	6106		C00123						
Lysine	5962		C00047						
Methionine	6137		C00073						
myo-Inositol			C00137						
Phenylalanine	6140		C00079						
Proline	145742		C00148						
Pyroglutamate	7405		C01879						
Pyruvate	1060		C00022						
Serine	5951		C00065						
Succinate	1110		C00042						
Threonine	6288		C00188						
Tryptophan	6305		C00078						
Tyrosine	6057		C00082						
Uracil	1174		C00106						
Valine	6287		C00183						
METABOLITES_END
#END