#METABOLOMICS WORKBENCH Linyan_20240328_112326 DATATRACK_ID:4748 STUDY_ID:ST003155 ANALYSIS_ID:AN005176 PROJECT_ID:PR001961 VERSION 1 CREATED_ON April 1, 2024, 9:21 pm #PROJECT PR:PROJECT_TITLE NMR-based metabolomics combined with metabolic pathway analysis reveals PR:PROJECT_TITLE metabolic heterogeneity of colorectal cancer tissue at different anatomical PR:PROJECT_TITLE locations and stages PR:PROJECT_SUMMARY Colorectal cancer (CRC) still remains the leading cause of cancer death PR:PROJECT_SUMMARY worldwide. This study aimed to profile the metabolic differences of colorectal PR:PROJECT_SUMMARY cancer tissues (CCT) at different stages and sites, as compared with their PR:PROJECT_SUMMARY adjacent noncancerous tissues (ANT), to investigate the temporal and spatial PR:PROJECT_SUMMARY heterogeneities of metabolic characterization. Our NMR-based metabolomics PR:PROJECT_SUMMARY fingerprinting revealed that many of the metabolite levels were significantly PR:PROJECT_SUMMARY altered in CCT compared to ANT and esophageal cancer tissues, indicating PR:PROJECT_SUMMARY deregulations of glucose metabolism, one-carbon metabolism, glutamine PR:PROJECT_SUMMARY metabolism, amino acid metabolism, fatty acid metabolism, TCA cycle, choline PR:PROJECT_SUMMARY metabolism, etc. A total of five biomarker metabolites, including glucose, PR:PROJECT_SUMMARY glutamate, alanine, valine and histidine, were identified to distinguish between PR:PROJECT_SUMMARY early and advanced stages of CCT. Metabolites that distinguish the different PR:PROJECT_SUMMARY anatomical sites of CCT include glucose, glycerol, glutamine, inositol, PR:PROJECT_SUMMARY succinate, and citrate. Those significant metabolic differences in CRC tissues PR:PROJECT_SUMMARY at different pathological stages and sites suggested temporal and spatial PR:PROJECT_SUMMARY heterogeneities of metabolic characterization in CCT, providing a metabolic PR:PROJECT_SUMMARY foundation for further study on biofluid metabolism in CRC early detection. PR:INSTITUTE Radiology Department, Second Affiliated Hospital, Shantou University Medical PR:INSTITUTE College, Shantou PR:LAST_NAME Lin PR:FIRST_NAME Yan PR:ADDRESS No. 69, Dongxia North Road, Shantou, Guangdong, China, Shantou, Guangdong, PR:ADDRESS China, 515041, China PR:EMAIL 994809889@qq.com PR:PHONE +86 18823992148 #STUDY ST:STUDY_TITLE NMR-based metabolomics combined with metabolic pathway analysis reveals ST:STUDY_TITLE metabolic heterogeneity of colorectal cancer tissue at different anatomical ST:STUDY_TITLE locations and stages ST:STUDY_SUMMARY Colorectal cancer (CRC) still remains the leading cause of cancer death ST:STUDY_SUMMARY worldwide. This study aimed to profile the metabolic differences of colorectal ST:STUDY_SUMMARY cancer tissues (CCT) at different stages and sites, as compared with their ST:STUDY_SUMMARY adjacent noncancerous tissues (ANT), to investigate the temporal and spatial ST:STUDY_SUMMARY heterogeneities of metabolic characterization. Our NMR-based metabolomics ST:STUDY_SUMMARY fingerprinting revealed that many of the metabolite levels were significantly ST:STUDY_SUMMARY altered in CCT compared to ANT and esophageal cancer tissues, indicating ST:STUDY_SUMMARY deregulations of glucose metabolism, one-carbon metabolism, glutamine ST:STUDY_SUMMARY metabolism, amino acid metabolism, fatty acid metabolism, TCA cycle, choline ST:STUDY_SUMMARY metabolism, etc. A total of five biomarker metabolites, including glucose, ST:STUDY_SUMMARY glutamate, alanine, valine and histidine, were identified to distinguish between ST:STUDY_SUMMARY early and advanced stages of CCT. Metabolites that distinguish the different ST:STUDY_SUMMARY anatomical sites of CCT include glucose, glycerol, glutamine, inositol, ST:STUDY_SUMMARY succinate, and citrate. Those significant metabolic differences in CRC tissues ST:STUDY_SUMMARY at different pathological stages and sites suggested temporal and spatial ST:STUDY_SUMMARY heterogeneities of metabolic characterization in CCT, providing a metabolic ST:STUDY_SUMMARY foundation for further study on biofluid metabolism in CRC early detection. ST:INSTITUTE Radiology Department, Second Affiliated Hospital, Shantou University Medical ST:INSTITUTE College, Shantou ST:LAST_NAME Lin ST:FIRST_NAME Yan ST:ADDRESS No. 69, Dongxia North Road, Shantou, Guangdong, China, Shantou, Guangdong, ST:ADDRESS China, 515041, China ST:EMAIL 994809889@qq.com ST:PHONE +86 18823992148 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS C_C0_1 CRC-tissue-C0.1.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.1.fid SUBJECT_SAMPLE_FACTORS C_C0_2 CRC-tissue-C0.2.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.2.fid SUBJECT_SAMPLE_FACTORS C_C0_3 CRC-tissue-C0.3.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.3.fid SUBJECT_SAMPLE_FACTORS C_C0_4 CRC-tissue-C0.4.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.4.fid SUBJECT_SAMPLE_FACTORS C_C0_5 CRC-tissue-C0.5.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.5.fid SUBJECT_SAMPLE_FACTORS C_C0_6 CRC-tissue-C0.6.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.6.fid SUBJECT_SAMPLE_FACTORS C_C0_7 CRC-tissue-C0.7.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.7.fid SUBJECT_SAMPLE_FACTORS C_C0_8 CRC-tissue-C0.8.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.8.fid SUBJECT_SAMPLE_FACTORS C_C0_9 CRC-tissue-C0.9.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.9.fid SUBJECT_SAMPLE_FACTORS C_C0_10 CRC-tissue-C0.10.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.10.fid SUBJECT_SAMPLE_FACTORS C_C0_11 CRC-tissue-C0.11.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.11.fid SUBJECT_SAMPLE_FACTORS C_C0_12 CRC-tissue-C0.12.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.12.fid SUBJECT_SAMPLE_FACTORS C_C0_13 CRC-tissue-C0.13.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.13.fid SUBJECT_SAMPLE_FACTORS C_C0_14 CRC-tissue-C0.14.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:colon RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.14.fid SUBJECT_SAMPLE_FACTORS C_C0_15 CRC-tissue-C0.15.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:colon RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.15.fid SUBJECT_SAMPLE_FACTORS C_C0_16 CRC-tissue-C0.16.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.16.fid SUBJECT_SAMPLE_FACTORS C_C0_17 CRC-tissue-C0.17.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.17.fid SUBJECT_SAMPLE_FACTORS C_C0_18 CRC-tissue-C0.18.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.18.fid SUBJECT_SAMPLE_FACTORS C_C0_19 CRC-tissue-C0.19.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.19.fid SUBJECT_SAMPLE_FACTORS C_C0_20 CRC-tissue-C0.20.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.20.fid SUBJECT_SAMPLE_FACTORS C_C0_21 CRC-tissue-C0.21.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.21.fid SUBJECT_SAMPLE_FACTORS C_C0_22 CRC-tissue-C0.22.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.22.fid SUBJECT_SAMPLE_FACTORS C_C0_23 CRC-tissue-C0.23.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.23.fid SUBJECT_SAMPLE_FACTORS C_C0_24 CRC-tissue-C0.24.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.24.fid SUBJECT_SAMPLE_FACTORS C_C0_25 CRC-tissue-C0.25.fid# Sample source:Colorectal tissue | Factor:early CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.25.fid SUBJECT_SAMPLE_FACTORS C_C0_26 CRC-tissue-C0.26.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.26.fid SUBJECT_SAMPLE_FACTORS C_C0_27 CRC-tissue-C0.27.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.27.fid SUBJECT_SAMPLE_FACTORS C_C0_28 CRC-tissue-C0.28.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.28.fid SUBJECT_SAMPLE_FACTORS C_C0_29 CRC-tissue-C0.29.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.29.fid SUBJECT_SAMPLE_FACTORS C_C0_30 CRC-tissue-C0.30.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.30.fid SUBJECT_SAMPLE_FACTORS C_C0_31 CRC-tissue-C0.31.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.31.fid SUBJECT_SAMPLE_FACTORS C_C0_32 CRC-tissue-C0.32.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.32.fid SUBJECT_SAMPLE_FACTORS C_C0_33 CRC-tissue-C0.33.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.33.fid SUBJECT_SAMPLE_FACTORS C_C0_34 CRC-tissue-C0.34.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.34.fid SUBJECT_SAMPLE_FACTORS C_C0_35 CRC-tissue-C0.35.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.35.fid SUBJECT_SAMPLE_FACTORS C_C0_36 CRC-tissue-C0.36.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.36.fid SUBJECT_SAMPLE_FACTORS C_C0_37 CRC-tissue-C0.37.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.37.fid SUBJECT_SAMPLE_FACTORS C_C0_38 CRC-tissue-C0.38.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.38.fid SUBJECT_SAMPLE_FACTORS C_C0_39 CRC-tissue-C0.39.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.39.fid SUBJECT_SAMPLE_FACTORS C_C0_40 CRC-tissue-C0.40.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.40.fid SUBJECT_SAMPLE_FACTORS C_C0_41 CRC-tissue-C0.41.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.41.fid SUBJECT_SAMPLE_FACTORS C_C0_42 CRC-tissue-C0.42.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.42.fid SUBJECT_SAMPLE_FACTORS C_C0_43 CRC-tissue-C0.43.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.43.fid SUBJECT_SAMPLE_FACTORS C_C0_44 CRC-tissue-C0.44.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.44.fid SUBJECT_SAMPLE_FACTORS C_C0_45 CRC-tissue-C0.45.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.45.fid SUBJECT_SAMPLE_FACTORS C_C0_46 CRC-tissue-C0.46.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.46.fid SUBJECT_SAMPLE_FACTORS C_C0_47 CRC-tissue-C0.47.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.47.fid SUBJECT_SAMPLE_FACTORS C_C0_48 CRC-tissue-C0.48.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.48.fid SUBJECT_SAMPLE_FACTORS C_C0_49 CRC-tissue-C0.49.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:colon RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.49.fid SUBJECT_SAMPLE_FACTORS C_C0_50 CRC-tissue-C0.50.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.50.fid SUBJECT_SAMPLE_FACTORS C_C0_51 CRC-tissue-C0.51.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.51.fid SUBJECT_SAMPLE_FACTORS C_C0_52 CRC-tissue-C0.52.fid# Sample source:Colorectal tissue | Factor:advanced CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-C0.52.fid SUBJECT_SAMPLE_FACTORS C_P5_1 CRC-tissue-P5.105.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.105.fid SUBJECT_SAMPLE_FACTORS C_P5_2 CRC-tissue-P5.106.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.106.fid SUBJECT_SAMPLE_FACTORS C_P5_3 CRC-tissue-P5.107.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.107.fid SUBJECT_SAMPLE_FACTORS C_P5_4 CRC-tissue-P5.108.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.108.fid SUBJECT_SAMPLE_FACTORS C_P5_5 CRC-tissue-P5.109.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.109.fid SUBJECT_SAMPLE_FACTORS C_P5_6 CRC-tissue-P5.110.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.110.fid SUBJECT_SAMPLE_FACTORS C_P5_7 CRC-tissue-P5.111.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.111.fid SUBJECT_SAMPLE_FACTORS C_P5_8 CRC-tissue-P5.112.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.112.fid SUBJECT_SAMPLE_FACTORS C_P5_9 CRC-tissue-P5.113.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.113.fid SUBJECT_SAMPLE_FACTORS C_P5_10 CRC-tissue-P5.114.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.114.fid SUBJECT_SAMPLE_FACTORS C_P5_11 CRC-tissue-P5.115.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.115.fid SUBJECT_SAMPLE_FACTORS C_P5_12 CRC-tissue-P5.116.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.116.fid SUBJECT_SAMPLE_FACTORS C_P5_13 CRC-tissue-P5.117.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.117.fid SUBJECT_SAMPLE_FACTORS C_P5_14 CRC-tissue-P5.118.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.118.fid SUBJECT_SAMPLE_FACTORS C_P5_15 CRC-tissue-P5.119.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.119.fid SUBJECT_SAMPLE_FACTORS C_P5_16 CRC-tissue-P5.120.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.120.fid SUBJECT_SAMPLE_FACTORS C_P5_17 CRC-tissue-P5.121.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.121.fid SUBJECT_SAMPLE_FACTORS C_P5_18 CRC-tissue-P5.122.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.122.fid SUBJECT_SAMPLE_FACTORS C_P5_19 CRC-tissue-P5.123.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.123.fid SUBJECT_SAMPLE_FACTORS C_P5_20 CRC-tissue-P5.124.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.124.fid SUBJECT_SAMPLE_FACTORS C_P5_21 CRC-tissue-P5.125.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.125.fid SUBJECT_SAMPLE_FACTORS C_P5_22 CRC-tissue-P5.126.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.126.fid SUBJECT_SAMPLE_FACTORS C_P5_23 CRC-tissue-P5.127.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.127.fid SUBJECT_SAMPLE_FACTORS C_P5_24 CRC-tissue-P5.128.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.128.fid SUBJECT_SAMPLE_FACTORS C_P5_25 CRC-tissue-P5.129.fid# Sample source:Colorectal tissue | Factor:early para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.129.fid SUBJECT_SAMPLE_FACTORS C_P5_26 CRC-tissue-P5.130.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.130.fid SUBJECT_SAMPLE_FACTORS C_P5_27 CRC-tissue-P5.131.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.131.fid SUBJECT_SAMPLE_FACTORS C_P5_28 CRC-tissue-P5.132.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.132.fid SUBJECT_SAMPLE_FACTORS C_P5_29 CRC-tissue-P5.133.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.133.fid SUBJECT_SAMPLE_FACTORS C_P5_30 CRC-tissue-P5.134.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.134.fid SUBJECT_SAMPLE_FACTORS C_P5_31 CRC-tissue-P5.135.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.135.fid SUBJECT_SAMPLE_FACTORS C_P5_33 CRC-tissue-P5.136.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.136.fid SUBJECT_SAMPLE_FACTORS C_P5_34 CRC-tissue-P5.137.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.137.fid SUBJECT_SAMPLE_FACTORS C_P5_35 CRC-tissue-P5.138.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.138.fid SUBJECT_SAMPLE_FACTORS C_P5_36 CRC-tissue-P5.139.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.139.fid SUBJECT_SAMPLE_FACTORS C_P5_37 CRC-tissue-P5.140.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.140.fid SUBJECT_SAMPLE_FACTORS C_P5_38 CRC-tissue-P5.141.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.141.fid SUBJECT_SAMPLE_FACTORS C_P5_39 CRC-tissue-P5.142.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.142.fid SUBJECT_SAMPLE_FACTORS C_P5_40 CRC-tissue-P5.143.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.143.fid SUBJECT_SAMPLE_FACTORS C_P5_41 CRC-tissue-P5.144.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.144.fid SUBJECT_SAMPLE_FACTORS C_P5_42 CRC-tissue-P5.145.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.145.fid SUBJECT_SAMPLE_FACTORS C_P5_43 CRC-tissue-P5.146.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.146.fid SUBJECT_SAMPLE_FACTORS C_P5_45 CRC-tissue-P5.147.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:CRC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.147.fid SUBJECT_SAMPLE_FACTORS C_P5_46 CRC-tissue-P5.148.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.148.fid SUBJECT_SAMPLE_FACTORS C_P5_47 CRC-tissue-P5.149.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.149.fid SUBJECT_SAMPLE_FACTORS C_P5_48 CRC-tissue-P5.150.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.150.fid SUBJECT_SAMPLE_FACTORS C_P5_49 CRC-tissue-P5.151.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:LCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.151.fid SUBJECT_SAMPLE_FACTORS C_P5_50 CRC-tissue-P5.152.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:rectum RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.152.fid SUBJECT_SAMPLE_FACTORS C_P5_51 CRC-tissue-P5.153.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.153.fid SUBJECT_SAMPLE_FACTORS C_P5_52 CRC-tissue-P5.154.fid# Sample source:Colorectal tissue | Factor:advanced para-CRC | Factor:RCC RAW_FILE_NAME(Raw file name)=CRC-tissue-P5.154.fid #COLLECTION CO:COLLECTION_SUMMARY Resected colorectal cancer tissues and their corresponding non-cancerous tissues CO:COLLECTION_SUMMARY were frozen in liquid nitrogen for 10s before being transferred to cryogenic CO:COLLECTION_SUMMARY vials and stored at −80°C until metabolite extraction. CO:SAMPLE_TYPE colorectal tissue CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen tissue samples (approximately 300 mg) were thawed at 25°C, then SP:SAMPLEPREP_SUMMARY sectioned and homogenized at 16,000 rpm for 80 seconds in a solution consisting SP:SAMPLEPREP_SUMMARY of 0.6 mL distilled water and 1.2 mL methanol. Subsequently, chloroform (1.2 mL) SP:SAMPLEPREP_SUMMARY and distilled water (1.2 mL) were added and the sample was vortexed for 60 SP:SAMPLEPREP_SUMMARY seconds. Finally, samples were incubated on ice for 15 mins, followed by SP:SAMPLEPREP_SUMMARY centrifugation at 2000 rpm for 5 mins. The resulting supernatant was washed with SP:SAMPLEPREP_SUMMARY nitrogen and evaporated before incubating under vacuum for at least 18 hours. SP:SAMPLEPREP_SUMMARY The subsequent lyophilized powder was dissolved in 550 μL PBS/D2O buffer (0.1 SP:SAMPLEPREP_SUMMARY M, pH 7.4) and 50 μL TSP/D2O stock solution, and after centrifugation at 10,000 SP:SAMPLEPREP_SUMMARY rpm for 5 mins,500 μL of the supernatant was transferred to an NMR tube (5 mm SP:SAMPLEPREP_SUMMARY size) for 1H NMR spectroscopy analysis. #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker Avance III NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_RESULTS_FILE ST003155_AN005176_Results.txt UNITS:peak area #END