#METABOLOMICS WORKBENCH likan_20230920_042253 DATATRACK_ID:4328 STUDY_ID:ST002873 ANALYSIS_ID:AN004710 PROJECT_ID:PR001795 VERSION 1 CREATED_ON September 22, 2023, 1:10 pm #PROJECT PR:PROJECT_TITLE The ganglioside GM3 protects against abdominal aortic aneurysm by suppressing PR:PROJECT_TITLE ferroptosis in vascular smooth muscle cells PR:PROJECT_SUMMARY Background: Abdominal aortic aneurysm (AAA) is a potentially life-threatening PR:PROJECT_SUMMARY condition, but approved medical therapies to prevent AAA progression and rupture PR:PROJECT_SUMMARY are currently lacking. Sphingolipids metabolism disorders are associated with PR:PROJECT_SUMMARY the occurrence and development of AAA. It has been discovered that ganglioside PR:PROJECT_SUMMARY GM3, a sialic acid-containing type of glycosphingolipid, plays a protective role PR:PROJECT_SUMMARY in atherosclerosis which is an important risk factor for AAA, but the potential PR:PROJECT_SUMMARY contribution of GM3 to AAA development has not been investigated. Methods: We PR:PROJECT_SUMMARY performed a metabolomics study to evaluated GM3 level in plasma of human AAA PR:PROJECT_SUMMARY patients. We profiled GM3 synthase (ST3GAL5) expression in the mouse model of PR:PROJECT_SUMMARY aneurysm and human AAA tissues through western blotting and immunofluorescence PR:PROJECT_SUMMARY staining. RNA sequencing, proteomic analysis, affinity purification and mass PR:PROJECT_SUMMARY spectrometry, surface plasmon resonance (SPR) analysis, and functional studies PR:PROJECT_SUMMARY were used to dissect the molecular mechanism of GM3-regulating ferroptosis. We PR:PROJECT_SUMMARY conditionally deleted and overexpressed St3gal5 in smooth muscle cells (SMCs) in PR:PROJECT_SUMMARY vivo to investigate its role in AAA. Results: We found significantly reduced PR:PROJECT_SUMMARY plasma levels of the GM3 in human AAA patients. GM3 content and ST3GAL5 PR:PROJECT_SUMMARY expression were all decreased in abdominal aortic VSMCs in AAA patients and PR:PROJECT_SUMMARY mouse model. RNA-sequencing analysis showed that ST3GAL5 silencing in human PR:PROJECT_SUMMARY aortic SMCs (HASMCs) induced ferroptosis. Importantly, we showed that GM3 PR:PROJECT_SUMMARY interacted directly with the extracellular domain of transferrin receptor 1 PR:PROJECT_SUMMARY (TFR1), a cell membrane protein critical for cellular iron uptake, disrupted its PR:PROJECT_SUMMARY interaction with holo-transferrin. SMC-specific St3gal5 knockout exacerbated PR:PROJECT_SUMMARY iron accumulation at lesion sites and significantly promoted AAA development, PR:PROJECT_SUMMARY while GM3 supplementation suppressed lipid peroxidation, reduced iron deposition PR:PROJECT_SUMMARY in aortic VSMCs and markedly decreased AAA incidence. Conclusions: Together, PR:PROJECT_SUMMARY these results suggest that GM3 dysregulation promotes ferroptosis of VSMCs in PR:PROJECT_SUMMARY AAA. Furthermore, GM3 may constitute a new therapeutic target for the treatment PR:PROJECT_SUMMARY of AAA. PR:INSTITUTE Tianjin Medical University PR:LAST_NAME Li PR:FIRST_NAME Kan PR:ADDRESS Tianjin Medical University, Tianjin, China., Tianjin, Tianjin, 300070, China PR:EMAIL likan1115@tmu.edu.cn PR:PHONE 18853602951 #STUDY ST:STUDY_TITLE The ganglioside GM3 protects against abdominal aortic aneurysm (AAA) by ST:STUDY_TITLE suppressing ferroptosis ST:STUDY_SUMMARY Background: Abdominal aortic aneurysm (AAA) is a potentially life-threatening ST:STUDY_SUMMARY condition, but approved medical therapies to prevent AAA progression and rupture ST:STUDY_SUMMARY are currently lacking. Sphingolipids metabolism disorders are associated with ST:STUDY_SUMMARY the occurrence and development of AAA. It has been discovered that ganglioside ST:STUDY_SUMMARY GM3, a sialic acid-containing type of glycosphingolipid, plays a protective role ST:STUDY_SUMMARY in atherosclerosis which is an important risk factor for AAA, but the potential ST:STUDY_SUMMARY contribution of GM3 to AAA development has not been investigated. Methods: We ST:STUDY_SUMMARY performed a metabolomics study to evaluated GM3 level in plasma of human AAA ST:STUDY_SUMMARY patients. We profiled GM3 synthase (ST3GAL5) expression in the mouse model of ST:STUDY_SUMMARY aneurysm and human AAA tissues through western blotting and immunofluorescence ST:STUDY_SUMMARY staining. RNA sequencing, proteomic analysis, affinity purification and mass ST:STUDY_SUMMARY spectrometry, surface plasmon resonance (SPR) analysis, and functional studies ST:STUDY_SUMMARY were used to dissect the molecular mechanism of GM3-regulating ferroptosis. We ST:STUDY_SUMMARY conditionally deleted and overexpressed St3gal5 in smooth muscle cells (SMCs) in ST:STUDY_SUMMARY vivo to investigate its role in AAA. Results: We found significantly reduced ST:STUDY_SUMMARY plasma levels of the GM3 in human AAA patients. GM3 content and ST3GAL5 ST:STUDY_SUMMARY expression were all decreased in abdominal aortic VSMCs in AAA patients and ST:STUDY_SUMMARY mouse model. RNA-sequencing analysis showed that ST3GAL5 silencing in human ST:STUDY_SUMMARY aortic SMCs (HASMCs) induced ferroptosis. Importantly, we showed that GM3 ST:STUDY_SUMMARY interacted directly with the extracellular domain of transferrin receptor 1 ST:STUDY_SUMMARY (TFR1), a cell membrane protein critical for cellular iron uptake, disrupted its ST:STUDY_SUMMARY interaction with holo-transferrin. SMC-specific St3gal5 knockout exacerbated ST:STUDY_SUMMARY iron accumulation at lesion sites and significantly promoted AAA development, ST:STUDY_SUMMARY while GM3 supplementation suppressed lipid peroxidation, reduced iron deposition ST:STUDY_SUMMARY in aortic VSMCs and markedly decreased AAA incidence. Conclusions: Together, ST:STUDY_SUMMARY these results suggest that GM3 dysregulation promotes ferroptosis of VSMCs in ST:STUDY_SUMMARY AAA. Furthermore, GM3 may constitute a new therapeutic target for the treatment ST:STUDY_SUMMARY of AAA. ST:INSTITUTE Tianjin Medical University ST:LAST_NAME Li ST:FIRST_NAME Kan ST:ADDRESS Tianjin Medical University, Tianjin, China., Tianjin, Tianjin, 300070, China ST:EMAIL likan1115@tmu.edu.cn ST:PHONE 18853602951 #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 - C1.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C1.1 SUBJECT_SAMPLE_FACTORS - C2.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C2.1 SUBJECT_SAMPLE_FACTORS - C3.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C3.1 SUBJECT_SAMPLE_FACTORS - C4.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C4.1 SUBJECT_SAMPLE_FACTORS - C5.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C5.1 SUBJECT_SAMPLE_FACTORS - C6.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C6.1 SUBJECT_SAMPLE_FACTORS - C7.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C7.1 SUBJECT_SAMPLE_FACTORS - C8.1 treatment:Ctrl RAW_FILE_NAME=Data_SP_neg_C8.1 SUBJECT_SAMPLE_FACTORS - 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A92.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A92.1 SUBJECT_SAMPLE_FACTORS - A93.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A93.1 SUBJECT_SAMPLE_FACTORS - A94.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A94.1 SUBJECT_SAMPLE_FACTORS - A95.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A95.1 SUBJECT_SAMPLE_FACTORS - A96.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A96.1 SUBJECT_SAMPLE_FACTORS - A97.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A97.1 SUBJECT_SAMPLE_FACTORS - A98.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A98.1 SUBJECT_SAMPLE_FACTORS - A99.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A99.1 SUBJECT_SAMPLE_FACTORS - A100.1 treatment:AAA RAW_FILE_NAME=Data_SP_neg_A100.1 SUBJECT_SAMPLE_FACTORS - C1 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C1 SUBJECT_SAMPLE_FACTORS - C2 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C2 SUBJECT_SAMPLE_FACTORS - C3 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C3 SUBJECT_SAMPLE_FACTORS - C4 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C4 SUBJECT_SAMPLE_FACTORS - C5 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C5 SUBJECT_SAMPLE_FACTORS - C6 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C6 SUBJECT_SAMPLE_FACTORS - C7 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C7 SUBJECT_SAMPLE_FACTORS - C8 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C8 SUBJECT_SAMPLE_FACTORS - C9 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C9 SUBJECT_SAMPLE_FACTORS - C10 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C10 SUBJECT_SAMPLE_FACTORS - C11 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C11 SUBJECT_SAMPLE_FACTORS - C12 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C12 SUBJECT_SAMPLE_FACTORS - C13 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C13 SUBJECT_SAMPLE_FACTORS - C14 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C14 SUBJECT_SAMPLE_FACTORS - C15 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C15 SUBJECT_SAMPLE_FACTORS - C16 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C16 SUBJECT_SAMPLE_FACTORS - C17 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C17 SUBJECT_SAMPLE_FACTORS - C18 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C18 SUBJECT_SAMPLE_FACTORS - C19 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C19 SUBJECT_SAMPLE_FACTORS - C20 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C20 SUBJECT_SAMPLE_FACTORS - C21 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C21 SUBJECT_SAMPLE_FACTORS - C22 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C22 SUBJECT_SAMPLE_FACTORS - C23 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C23 SUBJECT_SAMPLE_FACTORS - C24 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C24 SUBJECT_SAMPLE_FACTORS - C25 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C25 SUBJECT_SAMPLE_FACTORS - C26 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C26 SUBJECT_SAMPLE_FACTORS - C27 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C27 SUBJECT_SAMPLE_FACTORS - C28 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C28 SUBJECT_SAMPLE_FACTORS - C29 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C29 SUBJECT_SAMPLE_FACTORS - C30 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C30 SUBJECT_SAMPLE_FACTORS - C31 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C31 SUBJECT_SAMPLE_FACTORS - C32 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C32 SUBJECT_SAMPLE_FACTORS - C33 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C33 SUBJECT_SAMPLE_FACTORS - C34 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C34 SUBJECT_SAMPLE_FACTORS - C35 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C35 SUBJECT_SAMPLE_FACTORS - C36 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C36 SUBJECT_SAMPLE_FACTORS - C37 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C37 SUBJECT_SAMPLE_FACTORS - C38 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C38 SUBJECT_SAMPLE_FACTORS - C39 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C39 SUBJECT_SAMPLE_FACTORS - C40 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C40 SUBJECT_SAMPLE_FACTORS - C41 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C41 SUBJECT_SAMPLE_FACTORS - C42 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C42 SUBJECT_SAMPLE_FACTORS - C43 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C43 SUBJECT_SAMPLE_FACTORS - C44 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C44 SUBJECT_SAMPLE_FACTORS - C45 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C45 SUBJECT_SAMPLE_FACTORS - C46 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C46 SUBJECT_SAMPLE_FACTORS - C47 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C47 SUBJECT_SAMPLE_FACTORS - C48 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C48 SUBJECT_SAMPLE_FACTORS - C49 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C49 SUBJECT_SAMPLE_FACTORS - C50 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C50 SUBJECT_SAMPLE_FACTORS - C51 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C51 SUBJECT_SAMPLE_FACTORS - C52 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C52 SUBJECT_SAMPLE_FACTORS - C53 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C53 SUBJECT_SAMPLE_FACTORS - C54 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C54 SUBJECT_SAMPLE_FACTORS - C55 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C55 SUBJECT_SAMPLE_FACTORS - C56 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C56 SUBJECT_SAMPLE_FACTORS - C57 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C57 SUBJECT_SAMPLE_FACTORS - C58 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C58 SUBJECT_SAMPLE_FACTORS - C59 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C59 SUBJECT_SAMPLE_FACTORS - C60 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C60 SUBJECT_SAMPLE_FACTORS - C61 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C61 SUBJECT_SAMPLE_FACTORS - C62 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C62 SUBJECT_SAMPLE_FACTORS - C63 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C63 SUBJECT_SAMPLE_FACTORS - C64 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C64 SUBJECT_SAMPLE_FACTORS - C65 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C65 SUBJECT_SAMPLE_FACTORS - C66 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C66 SUBJECT_SAMPLE_FACTORS - C67 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C67 SUBJECT_SAMPLE_FACTORS - C68 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C68 SUBJECT_SAMPLE_FACTORS - C69 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C69 SUBJECT_SAMPLE_FACTORS - C70 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C70 SUBJECT_SAMPLE_FACTORS - C71 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C71 SUBJECT_SAMPLE_FACTORS - C72 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C72 SUBJECT_SAMPLE_FACTORS - C73 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C73 SUBJECT_SAMPLE_FACTORS - C74 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C74 SUBJECT_SAMPLE_FACTORS - C75 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C75 SUBJECT_SAMPLE_FACTORS - C76 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C76 SUBJECT_SAMPLE_FACTORS - C77 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C77 SUBJECT_SAMPLE_FACTORS - C78 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C78 SUBJECT_SAMPLE_FACTORS - C79 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C79 SUBJECT_SAMPLE_FACTORS - C80 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C80 SUBJECT_SAMPLE_FACTORS - C81 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C81 SUBJECT_SAMPLE_FACTORS - C82 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C82 SUBJECT_SAMPLE_FACTORS - C83 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C83 SUBJECT_SAMPLE_FACTORS - C84 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C84 SUBJECT_SAMPLE_FACTORS - C85 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C85 SUBJECT_SAMPLE_FACTORS - C86 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C86 SUBJECT_SAMPLE_FACTORS - C87 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C87 SUBJECT_SAMPLE_FACTORS - C88 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C88 SUBJECT_SAMPLE_FACTORS - C89 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C89 SUBJECT_SAMPLE_FACTORS - C90 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C90 SUBJECT_SAMPLE_FACTORS - C91 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C91 SUBJECT_SAMPLE_FACTORS - C92 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C92 SUBJECT_SAMPLE_FACTORS - C93 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C93 SUBJECT_SAMPLE_FACTORS - C94 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C94 SUBJECT_SAMPLE_FACTORS - C95 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C95 SUBJECT_SAMPLE_FACTORS - C96 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C96 SUBJECT_SAMPLE_FACTORS - C97 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C97 SUBJECT_SAMPLE_FACTORS - C98 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C98 SUBJECT_SAMPLE_FACTORS - C99 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C99 SUBJECT_SAMPLE_FACTORS - C100 treatment:Ctrl RAW_FILE_NAME=Data_SP_pos_C100 SUBJECT_SAMPLE_FACTORS - A1 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A1 SUBJECT_SAMPLE_FACTORS - A2 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A2 SUBJECT_SAMPLE_FACTORS - A3 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A3 SUBJECT_SAMPLE_FACTORS - A4 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A4 SUBJECT_SAMPLE_FACTORS - A5 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A5 SUBJECT_SAMPLE_FACTORS - A6 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A6 SUBJECT_SAMPLE_FACTORS - A7 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A7 SUBJECT_SAMPLE_FACTORS - A8 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A8 SUBJECT_SAMPLE_FACTORS - A9 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A9 SUBJECT_SAMPLE_FACTORS - A10 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A10 SUBJECT_SAMPLE_FACTORS - A11 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A11 SUBJECT_SAMPLE_FACTORS - A12 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A12 SUBJECT_SAMPLE_FACTORS - A13 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A13 SUBJECT_SAMPLE_FACTORS - A14 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A14 SUBJECT_SAMPLE_FACTORS - A15 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A15 SUBJECT_SAMPLE_FACTORS - A16 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A16 SUBJECT_SAMPLE_FACTORS - A17 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A17 SUBJECT_SAMPLE_FACTORS - A18 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A18 SUBJECT_SAMPLE_FACTORS - A19 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A19 SUBJECT_SAMPLE_FACTORS - A20 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A20 SUBJECT_SAMPLE_FACTORS - A21 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A21 SUBJECT_SAMPLE_FACTORS - A22 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A22 SUBJECT_SAMPLE_FACTORS - A23 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A23 SUBJECT_SAMPLE_FACTORS - A24 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A24 SUBJECT_SAMPLE_FACTORS - A25 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A25 SUBJECT_SAMPLE_FACTORS - A26 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A26 SUBJECT_SAMPLE_FACTORS - A27 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A27 SUBJECT_SAMPLE_FACTORS - A28 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A28 SUBJECT_SAMPLE_FACTORS - A29 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A29 SUBJECT_SAMPLE_FACTORS - A30 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A30 SUBJECT_SAMPLE_FACTORS - A31 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A31 SUBJECT_SAMPLE_FACTORS - A32 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A32 SUBJECT_SAMPLE_FACTORS - A33 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A33 SUBJECT_SAMPLE_FACTORS - A34 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A34 SUBJECT_SAMPLE_FACTORS - A35 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A35 SUBJECT_SAMPLE_FACTORS - A36 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A36 SUBJECT_SAMPLE_FACTORS - A37 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A37 SUBJECT_SAMPLE_FACTORS - A38 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A38 SUBJECT_SAMPLE_FACTORS - A39 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A39 SUBJECT_SAMPLE_FACTORS - A40 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A40 SUBJECT_SAMPLE_FACTORS - A41 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A41 SUBJECT_SAMPLE_FACTORS - A42 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A42 SUBJECT_SAMPLE_FACTORS - A43 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A43 SUBJECT_SAMPLE_FACTORS - A44 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A44 SUBJECT_SAMPLE_FACTORS - A45 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A45 SUBJECT_SAMPLE_FACTORS - A46 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A46 SUBJECT_SAMPLE_FACTORS - A47 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A47 SUBJECT_SAMPLE_FACTORS - A48 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A48 SUBJECT_SAMPLE_FACTORS - A49 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A49 SUBJECT_SAMPLE_FACTORS - A50 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A50 SUBJECT_SAMPLE_FACTORS - A51 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A51 SUBJECT_SAMPLE_FACTORS - A52 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A52 SUBJECT_SAMPLE_FACTORS - A53 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A53 SUBJECT_SAMPLE_FACTORS - A54 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A54 SUBJECT_SAMPLE_FACTORS - A55 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A55 SUBJECT_SAMPLE_FACTORS - A56 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A56 SUBJECT_SAMPLE_FACTORS - A57 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A57 SUBJECT_SAMPLE_FACTORS - A58 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A58 SUBJECT_SAMPLE_FACTORS - A59 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A59 SUBJECT_SAMPLE_FACTORS - A60 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A60 SUBJECT_SAMPLE_FACTORS - A61 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A61 SUBJECT_SAMPLE_FACTORS - A62 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A62 SUBJECT_SAMPLE_FACTORS - A63 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A63 SUBJECT_SAMPLE_FACTORS - A64 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A64 SUBJECT_SAMPLE_FACTORS - A65 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A65 SUBJECT_SAMPLE_FACTORS - A66 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A66 SUBJECT_SAMPLE_FACTORS - A67 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A67 SUBJECT_SAMPLE_FACTORS - A68 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A68 SUBJECT_SAMPLE_FACTORS - A69 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A69 SUBJECT_SAMPLE_FACTORS - A70 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A70 SUBJECT_SAMPLE_FACTORS - A71 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A71 SUBJECT_SAMPLE_FACTORS - A72 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A72 SUBJECT_SAMPLE_FACTORS - A73 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A73 SUBJECT_SAMPLE_FACTORS - A74 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A74 SUBJECT_SAMPLE_FACTORS - A75 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A75 SUBJECT_SAMPLE_FACTORS - A76 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A76 SUBJECT_SAMPLE_FACTORS - A77 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A77 SUBJECT_SAMPLE_FACTORS - A78 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A78 SUBJECT_SAMPLE_FACTORS - A79 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A79 SUBJECT_SAMPLE_FACTORS - A80 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A80 SUBJECT_SAMPLE_FACTORS - A81 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A81 SUBJECT_SAMPLE_FACTORS - A82 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A82 SUBJECT_SAMPLE_FACTORS - A83 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A83 SUBJECT_SAMPLE_FACTORS - A84 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A84 SUBJECT_SAMPLE_FACTORS - A85 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A85 SUBJECT_SAMPLE_FACTORS - A86 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A86 SUBJECT_SAMPLE_FACTORS - A87 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A87 SUBJECT_SAMPLE_FACTORS - A88 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A88 SUBJECT_SAMPLE_FACTORS - A89 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A89 SUBJECT_SAMPLE_FACTORS - A90 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A90 SUBJECT_SAMPLE_FACTORS - A91 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A91 SUBJECT_SAMPLE_FACTORS - A92 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A92 SUBJECT_SAMPLE_FACTORS - A93 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A93 SUBJECT_SAMPLE_FACTORS - A94 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A94 SUBJECT_SAMPLE_FACTORS - A95 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A95 SUBJECT_SAMPLE_FACTORS - A96 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A96 SUBJECT_SAMPLE_FACTORS - A97 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A97 SUBJECT_SAMPLE_FACTORS - A98 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A98 SUBJECT_SAMPLE_FACTORS - A99 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A99 SUBJECT_SAMPLE_FACTORS - A100 treatment:AAA RAW_FILE_NAME=Data_SP_pos_A100 #COLLECTION CO:COLLECTION_SUMMARY Plasma samples from 100 AAA patients and 100 non-AAA controls were collected CO:COLLECTION_SUMMARY from Beijing Anzhen Hospital of Capital Medical University and Tongji Medical CO:COLLECTION_SUMMARY College of Huazhong University of Science and Technology. CO:SAMPLE_TYPE plasma CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Plasma samples from 100 AAA patients and 100 non-AAA controls were collected TR:TREATMENT_SUMMARY from Beijing Anzhen Hospital of Capital Medical University and Tongji Medical TR:TREATMENT_SUMMARY College of Huazhong University of Science and Technology. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Briefly, 50 μL plasma spiked with 10 µL internal standard mixture and 10 µL SP:SAMPLEPREP_SUMMARY BHT was blended into 380 µL methanol (75%). MTBE (1 mL) was added, and the SP:SAMPLEPREP_SUMMARY mixture was vortexed for 30 min. Phase separation was induced by adding 250 µL SP:SAMPLEPREP_SUMMARY H₂O. After incubation for 10 min at room temperature, the samples were SP:SAMPLEPREP_SUMMARY centrifuged at 14 000 g for 10 min. The upper phase was collected and dried SP:SAMPLEPREP_SUMMARY using a nitrogen evaporator. Ultra-performance liquid chromatography BEH C18 SP:SAMPLEPREP_SUMMARY columns (1.7 μm, 100 × 2.1 mm i.d.) were used for chromatographic separations. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 90% isopropanol/10% acetonitrile; 5mM ammonium acetate CH:SOLVENT_B 60% acetonitrile CH:FLOW_GRADIENT 0.25mL/min：0-3min：25%A：75%B，3-17min：99%A:1%B, 17-20min：25%A:75%B CH:FLOW_RATE 0.25mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Raw data were processed using MultiQuant 3.0.3. Metabolite levels were MS:MS_COMMENTS calculated as the ratio of their concentrations relative to a standard sample. MS:MS_COMMENTS Quantifing the targeted metabolites by area under the curve used expected MS:MS_COMMENTS retention time. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/mL MS_METABOLITE_DATA_START Samples C1.1 C2.1 C3.1 C4.1 C5.1 C6.1 C7.1 C8.1 C9.1 C10.1 C11.1 C12.1 C13.1 C14.1 C15.1 C16.1 C17.1 C18.1 C19.1 C20.1 C21.1 C22.1 C23.1 C24.1 C25.1 C26.1 C27.1 C28.1 C29.1 C30.1 C31.1 C32.1 C33.1 C34.1 C35.1 C36.1 C37.1 C38.1 C39.1 C40.1 C41.1 C42.1 C43.1 C44.1 C45.1 C46.1 C47.1 C48.1 C49.1 C50.1 C51.1 C52.1 C53.1 C54.1 C55.1 C56.1 C57.1 C58.1 C59.1 C60.1 C61.1 C62.1 C63.1 C64.1 C65.1 C66.1 C67.1 C68.1 C69.1 C70.1 C71.1 C72.1 C73.1 C74.1 C75.1 C76.1 C77.1 C78.1 C79.1 C80.1 C81.1 C82.1 C83.1 C84.1 C85.1 C86.1 C87.1 C88.1 C89.1 C90.1 C91.1 C92.1 C93.1 C94.1 C95.1 C96.1 C97.1 C98.1 C99.1 C100.1 A1.1 A2.1 A3.1 A4.1 A5.1 A6.1 A7.1 A8.1 A9.1 A10.1 A11.1 A12.1 A13.1 A14.1 A15.1 A16.1 A17.1 A18.1 A19.1 A20.1 A21.1 A22.1 A23.1 A24.1 A25.1 A26.1 A27.1 A28.1 A29.1 A30.1 A31.1 A32.1 A33.1 A34.1 A35.1 A36.1 A37.1 A38.1 A39.1 A40.1 A41.1 A42.1 A43.1 A44.1 A45.1 A46.1 A47.1 A48.1 A49.1 A50.1 A51.1 A52.1 A53.1 A54.1 A55.1 A56.1 A57.1 A58.1 A59.1 A60.1 A61.1 A62.1 A63.1 A64.1 A65.1 A66.1 A67.1 A68.1 A69.1 A70.1 A71.1 A72.1 A73.1 A74.1 A75.1 A76.1 A77.1 A78.1 A79.1 A80.1 A81.1 A82.1 A83.1 A84.1 A85.1 A86.1 A87.1 A88.1 A89.1 A90.1 A91.1 A92.1 A93.1 A94.1 A95.1 A96.1 A97.1 A98.1 A99.1 A100.1 Factors treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:Ctrl treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA treatment:AAA Cer1P 14:0 0.85 0.74 0.46 0.55 0.60 0.97 0.27 0.29 0.64 0.86 0.58 0.45 0.65 0.75 0.58 1.49 0.93 0.50 0.68 0.64 1.85 1.32 0.53 1.00 0.49 0.70 0.94 0.30 0.80 1.34 1.33 1.18 1.00 0.37 0.73 0.45 0.66 0.79 1.00 0.78 0.98 1.01 1.21 0.98 0.88 1.10 0.66 0.70 0.64 1.07 1.06 1.27 0.74 1.16 1.18 1.02 0.83 1.11 0.74 1.02 1.45 0.49 1.19 0.65 0.82 0.41 0.83 0.83 0.92 1.44 1.26 0.78 1.28 0.51 1.27 0.87 2.13 0.95 0.48 0.41 0.94 1.06 1.42 1.49 1.17 0.59 1.54 0.68 1.27 0.45 1.31 1.49 1.01 0.22 1.05 0.95 0.51 0.84 2.12 0.78 0.30 0.26 0.47 0.58 0.21 0.40 0.70 0.44 0.11 0.69 0.26 0.27 0.52 0.51 0.71 0.29 0.49 0.44 0.41 0.68 0.52 0.51 0.58 0.85 0.42 0.40 0.69 0.36 0.86 0.78 0.31 0.70 0.78 1.27 0.99 0.57 0.59 1.05 0.65 1.00 2.14 0.83 1.04 0.99 0.40 0.94 0.68 0.60 0.83 1.08 0.46 0.78 1.32 1.60 0.54 1.13 0.39 0.63 0.97 0.44 0.79 0.69 0.65 0.57 1.17 0.41 0.77 0.74 1.04 0.43 0.73 0.58 0.57 0.95 0.86 0.37 0.57 1.21 0.37 0.35 0.72 0.66 1.03 0.94 0.68 1.00 0.65 0.81 0.27 0.47 0.81 1.34 0.41 0.42 1.41 0.90 0.82 0.80 0.51 0.40 Cer1P 16:0 1.18 1.66 1.34 2.10 2.56 1.90 1.19 1.13 2.31 1.72 0.80 0.93 2.03 2.10 3.06 0.94 3.09 1.75 2.21 1.77 3.98 1.69 1.62 3.45 2.96 2.60 1.67 2.09 1.38 2.05 2.19 2.52 1.96 4.38 3.94 3.72 2.44 3.15 3.42 3.93 2.19 5.79 4.00 2.84 2.46 4.79 1.77 2.97 2.52 2.47 3.34 2.82 2.49 3.17 5.51 3.88 3.71 2.82 1.11 1.94 2.86 3.09 2.14 1.73 0.96 1.18 2.87 3.20 2.63 3.80 3.12 3.41 5.14 1.91 3.28 2.46 4.13 0.81 2.24 1.68 4.10 2.35 4.42 3.68 3.15 2.98 3.01 2.49 2.56 2.91 2.55 3.36 2.31 3.31 2.47 2.82 2.58 2.76 4.42 2.79 1.75 2.09 1.57 2.30 1.11 0.76 2.17 1.09 1.06 1.35 0.96 1.52 1.14 0.53 0.39 1.19 0.96 1.28 2.09 1.19 1.06 0.80 1.96 4.30 1.44 1.23 1.59 1.56 0.85 1.37 0.59 4.34 4.07 2.02 3.10 2.32 3.02 3.37 3.58 3.28 2.37 5.62 5.46 3.28 3.75 2.96 3.26 4.96 1.53 3.02 2.10 2.60 1.37 1.59 3.75 3.77 2.75 3.05 2.68 1.76 1.85 1.86 1.82 1.06 1.16 0.99 1.09 2.83 1.48 1.03 1.00 3.13 3.60 1.75 3.13 1.69 0.84 1.27 1.75 3.08 2.39 1.44 2.15 3.40 3.85 2.00 1.45 0.83 2.29 1.34 1.31 5.01 2.08 1.78 2.54 1.63 2.33 1.57 1.71 1.13 Cer1P 16:1 2.69 1.91 1.48 2.99 3.98 2.37 1.21 1.23 3.98 3.90 0.73 1.63 1.94 3.62 5.36 3.52 4.15 2.84 1.37 2.15 6.10 2.97 2.88 4.32 2.01 4.28 2.77 1.79 2.09 4.45 3.28 3.23 2.85 2.88 4.18 2.60 3.75 3.45 3.26 2.59 3.26 3.54 3.58 4.42 3.25 5.23 2.16 5.75 3.63 3.91 5.57 4.63 1.90 3.65 4.93 3.72 4.68 4.89 2.44 4.27 5.72 2.89 4.75 2.13 1.71 2.38 3.15 4.36 3.96 5.15 3.79 3.72 4.72 1.71 4.46 3.15 6.61 1.93 2.28 2.40 2.97 3.26 5.58 4.54 4.81 4.48 5.99 3.54 4.34 3.48 4.01 4.32 3.53 3.23 3.14 3.42 2.70 3.96 8.15 5.53 1.27 1.14 1.59 1.71 1.12 1.19 1.18 0.65 0.72 1.73 1.37 0.57 1.35 1.68 1.67 1.94 1.58 1.59 2.09 1.85 1.68 1.81 2.09 3.60 2.22 2.75 2.89 2.42 2.93 1.78 1.30 2.61 3.21 3.80 4.62 2.12 4.11 3.66 3.32 4.23 4.70 4.82 4.28 5.11 4.39 2.72 2.98 2.47 2.76 5.13 2.60 4.54 2.61 2.73 3.51 3.76 2.14 2.89 2.59 2.00 4.12 2.25 2.76 2.11 3.17 1.74 2.21 2.94 3.13 1.79 2.84 2.78 2.50 3.44 3.22 2.17 1.78 2.25 1.69 3.29 2.93 2.91 2.61 3.80 3.15 3.58 1.42 2.55 2.20 2.00 2.42 5.72 2.62 3.16 6.92 2.47 2.25 1.65 3.13 1.72 Cer1P 18:2 0.91 0.61 0.53 0.76 1.28 0.55 0.34 0.54 0.93 0.83 0.36 0.41 0.41 0.76 1.86 1.22 1.46 0.94 0.71 0.93 1.40 0.95 0.83 1.18 0.81 1.18 1.30 0.66 0.83 1.52 0.99 0.86 0.83 1.17 1.22 0.82 1.15 1.22 0.86 0.91 1.33 1.10 1.12 1.37 1.15 1.73 1.12 1.62 1.15 1.33 1.48 1.54 0.36 1.50 1.82 1.41 1.28 1.44 0.70 0.69 1.71 0.61 0.91 0.71 0.89 0.44 1.21 1.46 1.56 1.48 1.02 1.10 1.39 0.61 1.40 0.79 2.38 0.72 0.93 0.82 1.31 1.56 1.60 1.05 1.32 1.36 1.38 1.06 1.09 1.23 1.53 1.45 1.19 0.86 1.25 0.96 1.15 1.05 2.30 1.23 0.57 0.24 0.60 0.28 0.30 0.72 0.29 0.21 0.17 0.72 0.34 0.45 0.43 0.71 0.30 0.70 0.47 0.30 0.13 0.42 0.70 0.76 0.61 1.00 0.51 0.97 0.78 1.28 0.22 0.49 0.57 0.52 1.13 0.99 1.27 0.69 1.38 0.79 0.85 1.37 1.63 1.70 1.53 1.09 1.43 1.16 1.25 0.82 0.80 1.44 1.17 1.48 0.71 0.82 1.27 0.72 0.88 0.84 0.47 0.41 0.96 0.57 0.66 0.64 0.71 0.57 0.57 0.91 0.68 0.50 0.76 0.76 0.94 0.90 1.21 0.28 0.51 0.58 0.31 0.97 0.36 0.66 0.84 1.54 1.18 1.03 0.55 0.51 0.81 0.58 0.69 1.80 0.76 0.93 1.41 0.61 0.83 0.35 0.59 0.45 Cer1P 22:0 12.88 6.88 9.16 5.94 8.45 14.11 16.75 10.32 14.59 19.02 9.41 12.08 6.71 12.49 5.50 27.06 14.49 6.88 7.63 9.86 13.44 15.41 9.61 8.06 15.00 9.41 9.36 5.60 7.22 16.50 21.72 18.37 8.01 8.30 7.93 9.24 5.78 9.25 14.83 4.86 20.28 7.15 11.27 4.29 13.51 16.42 10.73 10.32 10.99 11.59 13.43 8.83 9.30 10.10 11.09 12.27 12.40 9.84 8.94 19.66 15.12 10.78 10.92 10.12 6.18 9.09 8.62 11.52 13.35 14.20 8.86 5.76 11.85 9.48 6.07 10.46 10.87 10.67 3.09 4.71 4.24 15.34 21.71 15.41 17.40 4.59 23.46 7.53 15.92 7.85 13.50 14.79 15.66 8.38 7.66 5.11 10.80 14.29 16.71 16.79 17.44 12.43 11.96 12.91 6.48 11.72 10.62 7.64 6.91 6.85 5.52 7.50 7.05 22.22 22.85 14.50 13.35 15.76 4.91 4.05 10.38 7.43 12.25 8.33 6.23 3.92 17.32 36.22 36.77 8.60 6.28 5.56 10.61 10.50 17.63 8.64 9.70 9.93 21.43 7.09 8.09 6.26 3.67 9.60 5.43 13.24 16.24 2.95 11.30 15.77 9.61 19.19 10.00 15.54 5.55 14.57 12.00 10.29 15.48 8.64 12.25 6.79 10.67 11.48 18.91 13.27 13.45 11.88 15.10 8.86 8.94 10.34 6.64 19.00 6.41 8.65 15.09 10.75 6.21 9.71 10.83 12.69 5.68 6.81 4.99 16.79 14.03 14.38 6.29 6.87 15.95 6.18 2.94 17.78 21.56 12.38 12.97 5.40 7.79 7.78 dhCer1P 20:0 16.01 18.59 13.04 9.65 15.29 6.14 10.64 16.07 11.03 11.60 12.43 13.34 15.28 9.99 14.90 18.34 17.89 15.68 15.40 20.06 24.56 19.36 17.21 20.58 19.52 37.32 23.81 9.53 17.21 40.89 31.97 28.89 10.66 8.61 16.28 11.84 12.06 12.18 17.77 10.00 18.64 14.46 17.45 15.04 17.49 16.85 17.59 14.26 15.78 14.03 16.60 12.72 9.02 16.09 20.00 24.86 18.57 23.53 7.48 12.11 12.74 7.58 11.07 6.38 6.75 6.21 14.02 16.77 14.76 20.16 15.60 18.53 25.52 10.15 17.87 10.76 19.84 13.67 8.61 8.47 11.59 13.84 18.93 29.47 14.58 11.82 23.60 10.36 21.02 15.91 16.24 19.40 11.39 7.49 10.34 21.17 9.22 8.65 26.89 16.33 10.20 10.66 9.57 15.21 5.28 10.12 10.18 11.88 6.94 15.90 11.96 9.05 10.40 8.89 11.40 13.59 8.21 10.06 12.47 10.01 15.99 8.33 20.31 17.55 9.13 11.44 18.28 15.64 14.28 16.85 10.20 12.71 13.02 10.36 19.78 7.74 9.64 16.70 12.89 14.11 22.71 15.33 19.35 15.31 11.83 15.35 12.50 9.27 9.11 14.26 11.96 13.01 15.07 24.31 9.38 16.76 10.58 12.29 13.86 11.06 9.71 4.89 6.40 7.09 11.62 7.58 7.61 15.03 11.54 4.78 7.67 4.06 10.99 10.04 12.95 6.11 9.98 8.84 4.37 9.42 6.80 8.82 9.03 17.12 10.33 14.69 5.02 8.67 9.09 5.52 7.55 18.77 8.66 9.36 28.94 10.07 11.46 8.95 6.69 7.59 dhCer1P 20:4 1.34 1.55 1.55 1.92 2.12 2.01 3.71 1.19 2.25 4.40 2.35 1.61 2.51 2.46 1.25 7.15 1.93 2.96 2.23 2.48 3.39 2.05 3.32 1.88 3.08 2.29 1.90 3.10 3.21 3.82 2.46 1.94 2.59 1.57 2.72 2.14 2.27 0.88 2.46 1.62 4.38 4.36 2.01 1.81 2.23 3.45 1.24 3.01 2.55 4.11 2.94 2.52 1.94 2.13 3.29 2.66 2.76 3.02 6.09 2.91 3.73 3.96 1.82 2.54 3.25 2.55 4.09 3.14 3.26 5.15 1.68 3.17 3.03 1.29 2.48 3.38 4.46 2.22 1.43 2.29 1.88 4.03 3.83 4.09 1.75 0.91 5.83 2.26 5.02 2.75 1.94 2.25 2.64 2.12 2.96 2.46 1.98 3.13 3.40 3.90 1.91 2.19 2.13 1.63 0.63 2.06 2.24 1.96 2.17 1.08 1.23 1.13 0.80 0.99 0.87 1.14 0.92 0.74 1.29 0.58 1.58 0.78 1.14 1.67 2.52 1.02 5.10 1.63 1.86 1.72 1.37 0.75 1.66 1.69 2.45 1.25 1.72 1.88 2.19 2.62 2.24 1.49 0.88 3.74 0.42 2.15 3.60 0.98 2.85 1.84 2.80 3.20 1.83 2.69 1.56 2.96 2.48 3.02 2.19 1.84 2.51 0.63 1.83 3.08 3.70 1.54 2.31 2.82 7.44 3.01 1.60 1.94 1.61 2.44 5.59 1.97 2.32 2.76 1.53 4.11 2.38 3.47 0.75 2.76 1.25 1.67 1.39 3.30 0.69 1.73 2.59 2.80 1.43 2.03 6.46 1.40 1.93 1.32 1.87 1.23 dhCer1P 22:0 67.77 80.20 61.04 51.84 60.57 28.56 43.88 83.90 65.71 30.33 41.37 35.83 64.90 32.84 87.26 48.26 80.10 66.52 71.54 69.04 72.90 84.53 46.70 66.30 66.71 74.51 68.15 71.25 56.87 76.85 69.71 67.13 75.83 88.69 63.13 60.35 62.14 69.65 58.49 76.41 78.20 68.62 70.26 79.02 86.35 95.49 75.56 69.70 81.23 89.01 88.78 78.69 55.50 95.07 94.46 70.86 49.02 86.44 34.81 51.07 74.57 48.87 42.85 36.88 30.91 25.04 82.45 81.47 89.09 63.49 66.34 78.16 69.90 52.55 63.14 48.76 93.95 41.66 41.34 51.13 90.00 63.62 74.62 58.58 78.54 43.47 71.67 58.17 50.02 72.77 57.81 85.51 48.21 43.69 73.58 68.68 75.06 83.64 77.46 86.53 83.48 78.74 86.04 91.74 48.18 49.27 59.42 42.18 45.33 56.38 39.35 57.79 61.10 43.04 45.08 59.20 43.98 48.13 66.91 73.85 78.79 55.33 53.97 75.14 49.27 71.74 80.43 49.32 52.14 39.36 51.55 90.35 117.42 56.03 70.10 76.72 91.72 69.11 83.59 73.55 90.68 110.07 109.41 81.36 75.03 80.00 76.44 82.88 55.75 79.88 56.61 83.22 60.86 68.38 76.43 85.32 113.51 65.72 55.49 65.23 33.64 24.90 46.61 32.27 38.59 34.87 35.80 74.15 31.68 32.86 34.12 30.25 62.49 48.17 93.97 34.69 26.98 33.15 27.14 77.57 41.39 35.79 57.28 82.91 65.34 55.08 24.93 25.90 56.64 43.08 61.28 111.53 51.89 51.19 83.00 56.27 43.97 52.68 40.76 70.81 sulfatides d18:1-20:0 4.46 1.90 2.90 1.73 3.43 3.72 3.38 4.75 9.03 5.35 4.95 3.03 3.37 4.11 3.66 8.97 3.59 5.76 3.58 6.22 3.73 9.18 2.45 2.47 3.94 6.58 4.43 2.00 4.81 6.10 7.27 6.37 3.05 2.29 1.93 2.60 2.91 3.38 2.02 1.77 6.85 2.31 2.62 2.34 4.00 4.83 4.20 5.93 5.28 3.51 4.83 4.04 3.25 4.21 4.62 5.40 2.73 4.94 2.79 3.27 3.48 2.88 2.39 2.30 3.81 3.89 6.83 7.32 3.88 5.27 3.43 4.82 4.69 2.10 4.89 4.23 9.79 6.93 2.46 5.02 2.95 5.78 8.83 4.14 1.53 3.28 5.75 3.93 16.50 3.90 3.72 5.52 4.66 1.07 4.10 4.25 9.07 4.41 4.60 2.09 1.29 2.35 2.59 1.95 3.32 5.00 1.85 3.94 2.10 3.28 4.87 1.93 2.28 5.79 9.93 2.92 3.54 3.17 8.00 4.38 3.15 2.83 2.22 1.73 8.58 4.61 4.63 15.03 8.70 5.59 6.19 2.72 3.74 5.66 1.10 1.23 3.91 7.90 2.99 3.44 3.11 3.15 4.02 4.87 2.67 3.01 4.02 2.65 3.46 2.72 4.60 3.11 4.13 8.64 1.51 2.61 3.95 4.49 3.96 1.95 3.05 2.43 4.56 9.26 3.58 2.26 3.72 4.00 5.48 2.68 2.56 1.78 2.99 3.35 4.81 1.38 2.74 3.50 1.99 4.00 2.50 4.69 3.31 5.34 2.79 2.01 2.35 4.16 2.22 1.96 4.77 4.07 2.00 1.26 5.72 2.37 3.09 1.10 2.09 1.69 sulfatides d18:1-22:0 17.26 8.72 11.68 11.67 19.81 12.79 14.31 11.73 19.16 24.46 17.36 11.26 10.37 14.34 14.71 33.56 14.82 19.62 18.10 15.44 17.56 29.08 11.90 8.97 18.37 21.49 19.24 7.80 15.90 22.68 22.74 18.79 18.90 12.02 9.52 10.22 13.90 13.14 11.66 6.37 26.22 11.11 9.26 12.44 14.04 17.58 16.68 23.17 17.59 25.01 28.70 20.73 11.49 18.90 21.98 21.80 9.59 22.74 13.64 14.23 16.56 15.60 8.01 10.43 13.49 19.84 22.73 22.62 21.65 27.33 14.92 25.97 29.46 10.93 25.18 15.48 33.18 21.45 8.06 16.14 14.99 21.74 37.17 22.38 8.36 12.28 21.44 14.89 44.57 11.13 11.77 16.78 15.84 8.60 18.73 15.47 24.02 16.16 18.54 11.65 7.63 11.55 11.99 6.61 6.96 11.16 12.71 10.25 8.19 10.05 15.61 6.68 9.62 14.21 34.45 12.23 9.65 12.06 22.38 17.16 10.23 8.63 7.83 7.11 23.15 19.46 15.25 34.31 27.62 16.19 18.80 10.76 10.79 17.39 6.09 7.55 17.52 17.25 13.09 11.33 9.07 14.38 10.07 16.90 8.55 8.62 16.40 8.54 15.29 11.38 28.54 11.25 13.41 21.72 9.14 9.47 14.37 18.09 14.85 11.26 13.04 7.25 14.08 23.35 19.30 8.91 10.40 19.67 19.05 13.84 11.54 9.67 10.30 13.97 15.89 6.62 11.91 20.39 11.17 17.12 13.42 25.80 6.05 18.05 10.72 10.65 9.52 18.35 8.78 9.32 19.38 16.65 8.26 8.96 26.58 8.22 10.14 4.51 8.54 6.34 sulfatides d18:2-24:1 33.10 23.20 23.64 27.82 39.10 18.35 32.96 20.96 51.94 50.81 30.89 24.40 42.12 25.56 27.51 51.99 26.94 48.85 37.28 36.74 42.78 55.91 25.18 19.58 45.55 53.45 59.62 20.71 44.51 70.75 66.10 68.99 24.59 32.87 26.24 25.61 22.14 19.79 26.54 18.41 57.02 27.60 19.17 19.95 25.82 23.42 25.93 35.77 26.42 41.69 39.28 53.94 22.19 37.76 32.67 24.56 28.19 41.93 30.64 37.06 59.21 21.52 18.87 18.05 24.87 23.71 20.92 45.67 38.30 51.81 32.29 33.03 31.49 18.87 46.06 35.56 44.75 35.00 17.15 20.19 29.39 47.79 38.12 38.69 21.53 19.52 40.66 22.57 60.05 22.78 20.11 25.50 21.15 16.63 39.58 15.53 29.76 30.46 36.73 29.11 15.25 24.72 27.17 20.72 15.11 30.28 30.25 35.19 16.28 19.56 27.93 12.60 16.53 13.35 36.03 17.70 21.23 19.00 44.57 29.48 19.73 19.12 20.26 24.42 36.06 45.64 50.90 27.67 48.06 34.23 39.64 16.93 19.51 44.64 22.64 20.70 22.12 30.34 20.45 19.45 30.29 15.49 7.62 20.24 9.58 20.21 23.74 12.30 43.84 27.15 43.18 31.14 28.67 44.10 22.71 24.02 20.25 17.82 25.48 17.94 28.92 15.90 23.36 21.83 34.21 14.33 35.02 14.69 51.60 24.94 21.67 25.71 13.74 31.44 14.31 16.15 26.77 47.00 19.83 28.70 32.37 47.71 7.48 26.75 15.66 32.24 30.59 43.91 11.26 24.83 35.66 22.66 12.92 18.03 64.11 17.64 17.49 11.29 22.68 13.40 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Pubchem ID Kegg ID Cer1P 14:0 70698983 C02960 Cer1P 16:0 5283581 C02960 Cer1P 16:1 C02960 Cer1P 18:2 C02960 Cer1P 22:0 5283585 C02960 dhCer1P 20:0 dhCer1P 20:4 dhCer1P 22:0 sulfatides d18:1-20:0 sulfatides d18:1-22:0 sulfatides d18:2-24:1 METABOLITES_END #END