#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 LuÃs 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 ValentÃn Ceña, Vasco D.B. Bonifácio, LuÃs 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 LuÃs 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 â ATCC, Manassas, Virginia, USA) and U251 (09063001, CO:COLLECTION_SUMMARY European Collection of Authenticated Cell Cultures â ECACC, Salisbury, United CO:COLLECTION_SUMMARY Kingdom) were used. The cell lines were cultured in Dulbeccoâs 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 manufacturerâs 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 Dulbeccoâs Modified Eagleâs 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 cellsâ 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 à 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