#METABOLOMICS WORKBENCH danielabispo_20250911_084635 DATATRACK_ID:6421 STUDY_ID:ST004276 ANALYSIS_ID:AN007115 PROJECT_ID:PR002702
VERSION             	1
CREATED_ON             	October 12, 2025, 11:25 am
#PROJECT
PR:PROJECT_TITLE                 	Global metabolomics identifies new extracellular biomarkers of
PR:PROJECT_TITLE                 	nanovibration-driven mesenchymal stem cells osteodifferentiation
PR:PROJECT_SUMMARY               	Bone-related conditions are a leading cause of disability and rising healthcare
PR:PROJECT_SUMMARY               	costs, prompting interest in tissue engineering solutions using mesenchymal stem
PR:PROJECT_SUMMARY               	cells (MSC). As part of an effort to eliminate synthetic osteogenic compounds,
PR:PROJECT_SUMMARY               	this study characterizes the metabolic adaptations of MSC to chemical-free
PR:PROJECT_SUMMARY               	nanovibration (or nanokicking, NK)-induced osteodifferentiation. Through
PR:PROJECT_SUMMARY               	articulation of conventional gene markers and a global metabolomics/lipidomics
PR:PROJECT_SUMMARY               	strategy, our findings indicate successful slow-paced osteodifferentiation,
PR:PROJECT_SUMMARY               	expressed by subtle and partially reversible intracellular changes, and
PR:PROJECT_SUMMARY               	pronounced, largely irreversible, extracellular alterations.
PR:INSTITUTE                     	University of Aveiro
PR:DEPARTMENT                    	Chemistry
PR:LABORATORY                    	CICECO - Aveiro Institute of Materials
PR:LAST_NAME                     	Gil
PR:FIRST_NAME                    	Ana M.
PR:ADDRESS                       	CICECO, Departamento de química, Campus de Santiago, Aveiro, Portugal
PR:EMAIL                         	agil@ua.pt
PR:PHONE                         	+351 234 370 707
PR:FUNDING_SOURCE                	This work was developed within the scope of the CICECO-Aveiro Institute of
PR:FUNDING_SOURCE                	Materials, UIDB/50011/2020 project (doi: 10.54499/UIDB/50011/2020),
PR:FUNDING_SOURCE                	UIDP/50011/2020 (doi: 10.54499/UIDP/ 50011/2020) and LA/P/0006/2020
PR:FUNDING_SOURCE                	(doi:10.54499/LA/P/0006/2020), financed by national funds through the FCT/MCTES
PR:FUNDING_SOURCE                	(PIDDAC). We acknowledge funds from the Foundation for Science and Technology
PR:FUNDING_SOURCE                	through the BetterBone project (2022.04286.PTDC, doi: 10.54499/2022.04286.PTDC),
PR:FUNDING_SOURCE                	the Portuguese National NMR Network (RNRMN), supported by Infrastructure Project
PR:FUNDING_SOURCE                	Nº 022161 (co-financed by FEDER through COMPETE 2020, POCI and PORL and FCT
PR:FUNDING_SOURCE                	through PIDDAC); and FCT/SPQ PhD grant (DSCB) (SFRH/BD/150655/2020, doi:
PR:FUNDING_SOURCE                	10.54499/SFRH/BD/150655/2020). EPSRC grant EP/P001114/1.
#STUDY
ST:STUDY_TITLE                   	(NMR data) Global metabolomics identifies new extracellular biomarkers of
ST:STUDY_TITLE                   	nanovibration-driven mesenchymal stem cells osteodifferentiation
ST:STUDY_SUMMARY                 	This study characterizes the metabolic adaptations of mesenchymal stem cells
ST:STUDY_SUMMARY                 	(MSCs) to chemical-free nanovibration (nanokicking, NK)-induced
ST:STUDY_SUMMARY                 	osteodifferentiation. Upon reaching the cell numbers required for metabolomic
ST:STUDY_SUMMARY                 	analysis (1 × 10⁶ cells per sample for NMR), day 0 samples were collected in
ST:STUDY_SUMMARY                 	triplicate prior to stimulation. The remaining T150 flasks were divided into
ST:STUDY_SUMMARY                 	unstimulated controls (CTR) and NK-stimulated groups. The NK bioreactor employs
ST:STUDY_SUMMARY                 	the reverse piezoelectric effect to generate 30 nm vertical displacements at a
ST:STUDY_SUMMARY                 	frequency of 1000 Hz, providing a purely mechanical stimulus without chemical
ST:STUDY_SUMMARY                 	induction. For intracellular metabolomics, CTR and NK cells were collected in
ST:STUDY_SUMMARY                 	triplicate on days 0, 7, and 21. For extracellular metabolomics, culture media
ST:STUDY_SUMMARY                 	samples were collected in triplicate on days 3, 6, 7, 10, 13, 17, 20, and 21,
ST:STUDY_SUMMARY                 	along with blank media controls. Through the integration of conventional
ST:STUDY_SUMMARY                 	osteogenic gene markers with global metabolomics and lipidomics analyses, our
ST:STUDY_SUMMARY                 	findings reveal that NK stimulation promotes a slow-paced osteodifferentiation
ST:STUDY_SUMMARY                 	process characterized by subtle, partially reversible intracellular changes and
ST:STUDY_SUMMARY                 	pronounced, largely irreversible extracellular alterations, highlighting the
ST:STUDY_SUMMARY                 	metabolic reprogramming underlying mechanically induced osteogenesis.
ST:INSTITUTE                     	University of Aveiro
ST:DEPARTMENT                    	Chemistry
ST:LABORATORY                    	CICECO - Aveiro Institute of Materials
ST:LAST_NAME                     	Gil
ST:FIRST_NAME                    	Ana M.
ST:ADDRESS                       	CICECO, Departamento de química, Campus de Santiago, Aveiro, Portugal
ST:EMAIL                         	agil@ua.pt
ST:PHONE                         	+351234370707
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	29
SU:WEIGHT_OR_WEIGHT_RANGE        	Healthy
SU:GENDER                        	Female
SU:CELL_STRAIN_DETAILS           	Human adipose tissue-derived stem cells
SU:CELL_PASSAGE_NUMBER           	3
#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           	-	CTR_D0_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D0_S1_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D0_S1_PE; RAW_FILE_NAME(Medium_raw_data)=CTR7_Blank_media_S1
SUBJECT_SAMPLE_FACTORS           	-	CTR_D0_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D0_S2_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D0_S2_PE; RAW_FILE_NAME(Medium_raw_data)=CTR7_Blank_media_S2
SUBJECT_SAMPLE_FACTORS           	-	CTR_D0_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D0_S3_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D0_S3_PE; RAW_FILE_NAME(Medium_raw_data)=CTR7_Blank_media_S3
SUBJECT_SAMPLE_FACTORS           	-	CTR_D3_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D3_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D3_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D3_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D3_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D3_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D6_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D6_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D6_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D6_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D6_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D6_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D7_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D7_S1_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D7_S1_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D7_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D7_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D7_S2_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D7_S2_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D7_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D7_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D7_S3_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D7_S3_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D7_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D10_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D10_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D10_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D10_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D10_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D10_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D13_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D13_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D13_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D13_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D13_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D13_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D17_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D17_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D17_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D17_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D17_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D17_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D20_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D20_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D20_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D20_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D20_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=CTR_D20_S3_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D21_S1	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D21_S1_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D21_S1_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D21_S1_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D21_S2	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D21_S2_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D21_S2_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D21_S2_M
SUBJECT_SAMPLE_FACTORS           	-	CTR_D21_S3	Sample source:hASCs | Treatment:Proliferation conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=CTR7_D21_S3_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=CTR7_D21_S3_PE; RAW_FILE_NAME(Medium_raw_data)=CTR_D21_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D3_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D3_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D3_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D3_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D3_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D3_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D6_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D6_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D6_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D6_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D6_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D6_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D7_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D7_S1_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D7_S1_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D7_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D7_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D7_S2_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D7_S2_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D7_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D7_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D7_S3_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D7_S3_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D7_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D10_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D10_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D10_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D10_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D10_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D10_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D13_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D13_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D13_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D13_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D13_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D13_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D17_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D17_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D17_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D17_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D17_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D17_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D20_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D20_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D20_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D20_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D20_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=not available; RAW_FILE_NAME(Polar_extracts_raw_data)=not available; RAW_FILE_NAME(Medium_raw_data)=NK_D20_S3_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D21_S1	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D21_S1_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D21_S1_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D21_S1_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D21_S2	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D21_S2_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D21_S2_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D21_S2_M
SUBJECT_SAMPLE_FACTORS           	-	NK_D21_S3	Sample source:hASCs | Treatment:Osteogenic conditions	RAW_FILE_NAME(Lipid_extracts_raw_data)=NK7_D21_S3_LE; RAW_FILE_NAME(Polar_extracts_raw_data)=NK7_D21_S3_PE; RAW_FILE_NAME(Medium_raw_data)=NK_D21_S3_M
#COLLECTION
CO:COLLECTION_SUMMARY            	hAMSC were donated from Histocell (Bilbao, Spain), derived from a healthy
CO:COLLECTION_SUMMARY            	29-year-old female donor undergoing liposuction with written informed consent.
CO:COLLECTION_PROTOCOL_ID        	Protocol no. E08-30
CO:SAMPLE_TYPE                   	Stem cells
CO:STORAGE_CONDITIONS            	-80℃
CO:TISSUE_CELL_IDENTIFICATION    	Adipose Tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	Upon reaching the cell numbers necessary for metabolomics (> 1 million
TR:TREATMENT_SUMMARY             	cells/sample for NMR, and 500 k cells/sample for LC-MS), day 0 cell samples were
TR:TREATMENT_SUMMARY             	collected in triplicate prior to stimulation (Figure S2). The remaining cell
TR:TREATMENT_SUMMARY             	culture T150 flasks (for NMR metabolomics) and 24-well plates (for MS
TR:TREATMENT_SUMMARY             	lipidomics, Alamar blue (AB) assay and qRT-PCR) were split into unstimulated
TR:TREATMENT_SUMMARY             	(control, CTR) and NK-stimulated groups. As previously described,[30,32] the NK
TR:TREATMENT_SUMMARY             	bioreactor employs the reverse piezoelectric effect to induce mechanical
TR:TREATMENT_SUMMARY             	expansions from applied voltages, enabling 30 nm vertical displacements to cell
TR:TREATMENT_SUMMARY             	cultures at a frequency of 1000 Hz (Figure 1). To ensure consistent amplitudes
TR:TREATMENT_SUMMARY             	across the growth surfaces while allowing for easy removal and maintenance,
TR:TREATMENT_SUMMARY             	culture flasks/plates were firmly attached to the bioreactor using magnetic
TR:TREATMENT_SUMMARY             	sheets. For intracellular NMR metabolomics (endometabolomics) and MS lipidomics,
TR:TREATMENT_SUMMARY             	CTR and NK cells were trypsinized and collected in triplicate on days 0, 7 and
TR:TREATMENT_SUMMARY             	21 (Figure S2). The resulting cell suspensions were filtered through 100 μm
TR:TREATMENT_SUMMARY             	pore strainers, centrifuged (300 g, 5 min, 4 °C) and rinsed twice with
TR:TREATMENT_SUMMARY             	phosphate-buffered saline (PBS) solution. For extracellular NMR metabolomics
TR:TREATMENT_SUMMARY             	(exometabolomics), media samples were collected on days 3, 6, 7, 10, 13, 17, 20
TR:TREATMENT_SUMMARY             	and 21. Blank media (not cell-exposed) was also obtained. Media and cell samples
TR:TREATMENT_SUMMARY             	were stored (− 80 °C) until analysis.
TR:CELL_MEDIA                    	α-MEM (Gibco™ 12000063, Waltham, MA, USA) supplemented with 10% fetal bovine
TR:CELL_MEDIA                    	serum (FBS) and 1% antibiotics
TR:CELL_HARVESTING               	Days 0, 7 and 21
TR:CELL_PCT_CONFLUENCE           	100%
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Endometabolites (intracellular metabolites) were extracted using a
SP:SAMPLEPREP_SUMMARY            	methanol-chloroform-water extraction method. In brief, cell pellets were
SP:SAMPLEPREP_SUMMARY            	re-suspended in 800 μL of cold methanol (ref. M-4000-PC17, Thermo Fisher
SP:SAMPLEPREP_SUMMARY            	Scientific, Loughborough, UK) and Milli-Q water solution (4:1 ratio),
SP:SAMPLEPREP_SUMMARY            	transferred into glass tubes containing 150 mg of glass beads (ref. G8772,
SP:SAMPLEPREP_SUMMARY            	Sigma-Aldrich, Dorset, UK) and vortexed (2 min, RT ~ 25 °C). Subsequently, 320
SP:SAMPLEPREP_SUMMARY            	μL of cold chloroform (C-4960-17, Thermo Fisher Scientific, Loughborough, UK)
SP:SAMPLEPREP_SUMMARY            	was added and the mixture vortexed again (2 min, RT). Further 320 μL of cold
SP:SAMPLEPREP_SUMMARY            	chloroform were added, followed by 290 μL of cold Milli-Q water, with further
SP:SAMPLEPREP_SUMMARY            	vortexing (2 min, RT). After incubating at − 20 °C for 10 minutes, the
SP:SAMPLEPREP_SUMMARY            	samples were centrifuged (10,000 g, 15 min, 4 °C), and the upper (polar) and
SP:SAMPLEPREP_SUMMARY            	lower (lipophilic) phases were collected, dried, and stored at − 80 °C until
SP:SAMPLEPREP_SUMMARY            	analysis (NMR and LC-MS). For NMR exometabolomics, 500 µL of culture medium
SP:SAMPLEPREP_SUMMARY            	from each sample were centrifuged (1,000 g, 5 min, 4 °C) to eliminate cellular
SP:SAMPLEPREP_SUMMARY            	debris. Subsequently, protein precipitation was performed by adding 600 µL of
SP:SAMPLEPREP_SUMMARY            	100% methanol at − 80 °C to microcentrifuge tubes containing 300 µL of the
SP:SAMPLEPREP_SUMMARY            	medium sample. Following 30 min incubation at − 20 °C, samples were
SP:SAMPLEPREP_SUMMARY            	centrifuged (13,000 g, 20 min, 4 °C). The supernatant containing the
SP:SAMPLEPREP_SUMMARY            	exometabolites (extracellular metabolites) was collected, dried under vacuum and
SP:SAMPLEPREP_SUMMARY            	stored at − 80 °C.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	methanol-chloroform-water extraction method
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	Prior to NMR analysis, cellular polar extracts were re-suspended in 625 μL of a
SP:SAMPLE_RESUSPENSION           	100 mM phosphate buffer (pH 7.4) in D2O (99.9% deuterium, Eurisotop D216), with
SP:SAMPLE_RESUSPENSION           	0.1 mM of 3-(trimethylsilyl)-propionic-2,2,3,3-d4 acid (TSP, in D2O,
SP:SAMPLE_RESUSPENSION           	Sigma-Aldrich 293040) for chemical shift referencing. Dried media samples were
SP:SAMPLE_RESUSPENSION           	resuspended in 700 μL of the same phosphate buffer, centrifuged (13,000 g, 5
SP:SAMPLE_RESUSPENSION           	min, RT) and the supernatant collected. Cellular lipidic extracts were
SP:SAMPLE_RESUSPENSION           	re-suspended in 650 μL of deuterated chloroform (99.8% deuterium, Eurisotop
SP:SAMPLE_RESUSPENSION           	D307F) containing 0.03% tetramethylsilane (TMS) for chemical shift referencing.
SP:SAMPLE_RESUSPENSION           	Finally, 550 μL from each sample was transferred into a 5 mm NMR tube.
#ANALYSIS
AN:SOFTWARE_VERSION              	Amix 3.9.15 and TopSpin3.2
#NMR
NM:INSTRUMENT_NAME               	NMR 500 Bruker Avance III
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:NMR_COMMENTS                  	The following letters were added to each metabolite to specify the type of
NM:NMR_COMMENTS                  	sample in which they were identified - M: MEDIA_corrected_integral; P:
NM:NMR_COMMENTS                  	CELL_POLAR_normalized_integral; L: CELL_LIPID_normalized_integral
NM:SPECTROMETER_FREQUENCY        	500.13 Hz
NM:NMR_PROBE                     	TXI probe
NM:NMR_TUBE_SIZE                 	5 mm
NM:PULSE_SEQUENCE                	POLAR: water presaturation (noesypr1d pulse sequence, Bruker library) & LIPID:
NM:PULSE_SEQUENCE                	standard 90° pulse sequence (zg pulse sequence, Bruker library).
NM:TEMPERATURE                   	298 K
NM:NUMBER_OF_SCANS               	256 scans (exometabolome) and 512 (endometabolome)
NM:DUMMY_SCANS                   	8
NM:ACQUISITION_TIME              	2.3 s
NM:RELAXATION_DELAY              	4 s
NM:SPECTRAL_WIDTH                	7002.801 Hz
NM:NUM_DATA_POINTS_ACQUIRED      	32 k points
NM:LINE_BROADENING               	0.3 Hz
NM:ZERO_FILLING                  	64 k points
NM:APODIZATION                   	Exponential
NM:BASELINE_CORRECTION_METHOD    	Manual
NM:CHEMICAL_SHIFT_REF_STD        	POLAR: 3-(trimethylsilyl)-propionic-2,2,3,3-d4 acid (TSP, in D2O, Sigma-Aldrich
NM:CHEMICAL_SHIFT_REF_STD        	293040) & LIPID: deuterated chloroform (99.8% deuterium, Eurisotop D307F)
NM:CHEMICAL_SHIFT_REF_STD        	containing 0.03% tetramethylsilane (TMS)
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	Peak areas
NMR_METABOLITE_DATA_START
Samples	CTR_D0_S1	CTR_D0_S2	CTR_D0_S3	CTR_D3_S1	CTR_D3_S2	CTR_D3_S3	CTR_D6_S1	CTR_D6_S2	CTR_D6_S3	CTR_D7_S1	CTR_D7_S2	CTR_D7_S3	CTR_D10_S1	CTR_D10_S2	CTR_D10_S3	CTR_D13_S1	CTR_D13_S2	CTR_D13_S3	CTR_D17_S1	CTR_D17_S2	CTR_D17_S3	CTR_D20_S1	CTR_D20_S2	CTR_D20_S3	CTR_D21_S1	CTR_D21_S2	CTR_D21_S3	NK_D3_S1	NK_D3_S2	NK_D3_S3	NK_D6_S1	NK_D6_S2	NK_D6_S3	NK_D7_S1	NK_D7_S2	NK_D7_S3	NK_D10_S1	NK_D10_S2	NK_D10_S3	NK_D13_S1	NK_D13_S2	NK_D13_S3	NK_D17_S1	NK_D17_S2	NK_D17_S3	NK_D20_S1	NK_D20_S2	NK_D20_S3	NK_D21_S1	NK_D21_S2	NK_D21_S3
Factors	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Proliferation conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions	Sample source:hASCs | Treatment:Osteogenic conditions
4M2OV(KIC)_M	0	0	0	1.87E-04	0.00017999	1.75E-04	3.65E-04	0.000346978	3.62E-04	4.69E-04	0.000480395	0.000477664	4.45E-04	0.000489283	4.91E-04	5.35E-04	0.000481073	0.000565441	6.50E-04	0.000678192	0.000662775	7.57E-04	0.000650108	0.000776819	7.96E-04	0.00080044	7.96E-04	1.83E-04	0.000180468	1.83E-04	3.69E-04	0.000390202	3.62E-04	4.65E-04	0.000495264	0.000476161	4.81E-04	0.000504953	4.66E-04	5.65E-04	0.000588519	0.000556968	6.69E-04	0.000677424	6.69E-04	7.49E-04	0.000762246	0.00075205	9.29E-04	0.000820571	8.13E-04
Leu_M	0	0	0	-6.75E-05	1.09917E-05	-2.21E-04	-1.00E-03	-0.000226006	-1.14E-04	-1.48E-03	-0.000532722	-0.00061582	-9.04E-04	-0.000961379	-1.14E-03	-2.79E-03	-0.002070341	-0.001781192	-4.00E-03	-0.003584241	-0.003521619	-4.57E-03	-0.00430271	-0.004957024	-5.81E-03	-0.005217418	-4.99E-03	-2.08E-04	-0.000152917	-9.29E-05	-1.42E-04	-5.38818E-05	-3.24E-04	-1.31E-03	-0.000288772	-0.000509833	-9.79E-04	-0.000940438	-8.63E-04	-1.83E-03	-0.001918319	-0.001788844	-4.57E-03	-0.002976874	-3.72E-03	-4.95E-03	-0.005006352	-0.004761075	-5.48E-03	-0.005344537	-6.21E-03
Ile_M	0	0	0	-3.65E-04	-0.000226347	-4.72E-04	-1.56E-03	-0.000751123	-6.80E-04	-2.21E-03	-0.001307279	-0.00130066	-1.61E-03	-0.001629658	-1.75E-03	-3.52E-03	-0.002719772	-0.002404478	-4.95E-03	-0.004523704	-0.004481569	-5.63E-03	-0.005243391	-0.006062164	-6.83E-03	-0.006365259	-6.10E-03	-5.52E-04	-0.000370069	-6.60E-04	-1.07E-03	-0.00066615	-1.07E-03	-2.30E-03	-0.001266139	-0.001492466	-1.81E-03	-0.002006569	-1.77E-03	-2.79E-03	-0.002898664	-0.00267473	-5.79E-03	-0.004109793	-5.09E-03	-6.25E-03	-0.006175009	-0.006000069	-6.76E-03	-0.006595309	-7.47E-03
Val_M	0	0	0	-1.28E-04	1.3202E-05	-2.84E-04	-1.17E-03	-0.000383546	-2.75E-04	-1.65E-03	-0.000767784	-0.000802793	-1.22E-03	-0.001202989	-1.29E-03	-3.10E-03	-0.002172165	-0.002068921	-4.40E-03	-0.003978614	-0.003921752	-5.01E-03	-0.004752477	-0.00528188	-6.15E-03	-0.005627927	-5.33E-03	-3.48E-04	-0.000148156	-4.69E-04	-7.36E-04	-0.000288333	-6.95E-04	-1.73E-03	-0.00079275	-0.000943027	-1.37E-03	-0.001483385	-1.39E-03	-2.41E-03	-0.002340934	-0.002268461	-5.19E-03	-0.003576374	-4.20E-03	-5.64E-03	-0.005481253	-0.005305649	-5.96E-03	-0.005813646	-6.61E-03
3-HIBA_M	0	0	0	3.41E-05	5.06202E-05	6.41E-05	-3.10E-05	8.136E-05	1.18E-04	-7.48E-05	0.000160273	0.000149381	1.57E-04	0.000141738	1.38E-04	1.34E-05	0.000350385	0.000472803	3.73E-04	0.00053055	0.000492816	5.93E-04	0.000917978	0.00065834	6.13E-04	0.000740612	8.51E-04	9.55E-05	5.87445E-05	1.64E-04	3.14E-04	0.000207514	2.00E-04	1.35E-04	0.000384792	0.000254312	2.48E-04	0.000293495	3.20E-04	3.88E-04	0.000374813	0.000315979	3.11E-04	0.000669224	4.22E-04	5.87E-04	0.000567419	0.000593754	6.10E-04	0.000586864	4.13E-04
3M2OV(KIV)_M	0	0	0	4.18E-04	0.000416036	4.63E-04	7.89E-04	0.000845558	8.71E-04	9.82E-04	0.001135777	0.001137519	1.12E-03	0.001133756	1.12E-03	1.18E-03	0.001360443	0.001454759	1.62E-03	0.001716547	0.001684419	1.86E-03	0.002010665	0.001902506	1.97E-03	0.002052054	2.09E-03	4.31E-04	0.000429863	4.28E-04	8.73E-04	0.000891677	8.00E-04	1.03E-03	0.001159296	0.00109755	1.09E-03	0.001098039	1.10E-03	1.32E-03	0.001270205	0.001239598	1.47E-03	0.001630215	1.49E-03	1.70E-03	0.001707453	0.00172757	1.83E-03	0.001832147	1.73E-03
3-HBA (d)_M	0	0	0	1.14E-04	3.1984E-05	9.76E-05	8.50E-05	0.000251901	3.23E-04	6.44E-05	0.000383217	0.000356964	5.97E-04	0.00056921	5.48E-04	6.41E-04	0.001090237	0.00121014	1.37E-03	0.001546888	0.001436934	1.78E-03	0.002182714	0.00188585	1.82E-03	0.002083205	2.17E-03	1.36E-04	9.24161E-05	7.81E-05	3.61E-04	0.000346731	3.90E-04	2.19E-04	0.000580334	0.000448513	6.45E-04	0.000741902	5.90E-04	1.10E-03	0.00124302	0.001002333	1.18E-03	0.001671224	2.08E-03	1.71E-03	0.001716555	0.00184719	1.90E-03	0.001849459	1.73E-03
2-HIBA_M	0	0	0	-1.10E-04	-4.21644E-05	-1.75E-04	-7.94E-04	-0.000410879	-3.95E-04	-1.29E-03	-0.000824056	-0.000875606	-1.07E-03	-0.000985334	-1.00E-03	-1.77E-03	-0.001744509	-0.001547747	-2.69E-03	-0.002379901	-0.002162761	-2.87E-03	-0.002874095	-0.003049241	-3.75E-03	-0.00358815	-3.48E-03	-1.06E-04	-6.18171E-05	-9.34E-05	-2.98E-04	-0.000309623	-2.71E-04	-1.03E-03	-0.00056864	-0.000745466	-9.69E-04	-0.000868906	-7.18E-04	-1.62E-03	-0.001253805	-0.001413591	-2.62E-03	-0.001975531	-2.17E-03	-2.86E-03	-0.002960133	-0.002786106	-3.50E-03	-0.003518073	-3.79E-03
Ala_M	0	0	0	1.46E-02	0.014845183	1.51E-02	2.08E-02	0.021674806	2.17E-02	2.10E-02	0.02227313	0.022262923	2.35E-02	0.023620944	2.34E-02	2.41E-02	0.024484766	0.025050657	2.50E-02	0.025327758	0.0256822	2.64E-02	0.026372923	0.025466781	2.53E-02	0.026043571	2.65E-02	1.39E-02	0.013755847	1.36E-02	2.00E-02	0.020741143	2.01E-02	1.95E-02	0.021084299	0.020798023	2.19E-02	0.021678527	2.21E-02	2.31E-02	0.022956122	0.023443186	2.22E-02	0.023962387	2.27E-02	2.36E-02	0.023695253	0.023834013	2.38E-02	0.024009266	2.28E-02
Arg_M	0	0	0	-4.82E-05	-3.87877E-05	-1.20E-04	-5.16E-04	-9.49105E-06	1.08E-04	-6.79E-04	-6.24771E-06	-4.91252E-05	-2.25E-04	-0.000167062	-2.32E-04	-9.83E-04	-0.000448476	-5.46278E-05	-1.14E-03	-0.000704139	-0.000676498	-9.56E-04	-0.000530533	-0.00116844	-1.49E-03	-0.001077605	-9.27E-04	-8.61E-05	-6.41622E-05	-1.90E-05	2.33E-04	0.000175845	1.36E-04	-4.18E-04	0.000389156	0.000168355	-1.10E-04	4.09646E-05	3.25E-06	-2.61E-04	-0.000157168	-0.000272925	-1.37E-03	-0.000239538	-8.33E-04	-1.11E-03	-0.001200414	-0.001069796	-1.27E-03	-0.001299017	-1.83E-03
Acetate_M	0	0	0	1.55E-03	0.001432603	9.56E-04	1.66E-03	0.002629382	2.85E-03	2.12E-03	0.003256448	0.003284247	3.90E-03	0.003728223	3.52E-03	2.67E-03	0.00363803	0.003919047	1.08E-03	0.001701322	0.001931733	-2.49E-04	0.000155161	-0.000415533	-1.15E-03	-0.000111431	8.62E-04	1.04E-03	0.001103928	1.38E-03	2.90E-03	0.002991142	2.49E-03	2.41E-03	0.003604911	0.003325385	3.72E-03	0.003875228	3.71E-03	3.90E-03	0.003894444	0.004153582	5.39E-04	0.002807763	2.16E-03	-3.83E-04	-0.000387064	0.000145997	5.38E-04	-0.000191738	-1.17E-03
Pro_M	0	0	0	1.60E-05	-4.50354E-05	-1.67E-05	-1.29E-04	8.08133E-06	7.85E-05	-1.75E-04	-1.3787E-05	-5.94068E-05	-1.72E-04	-4.89611E-05	-1.35E-04	-7.20E-04	-0.00036374	-6.15264E-05	-6.40E-04	-0.000472085	-0.000537881	-6.63E-04	-0.000719763	-0.00050634	-8.61E-04	-0.000710304	-6.52E-04	5.40E-05	2.02805E-05	1.28E-04	1.37E-04	8.24184E-05	1.74E-05	-1.38E-04	0.000101239	6.59835E-05	-5.40E-05	-1.43925E-05	-2.49E-04	-9.73E-05	-0.000239485	-0.000275497	-7.29E-04	-0.00033973	-5.31E-04	-6.72E-04	-0.000667771	-0.000873367	-8.00E-04	-0.000882271	-1.04E-03
Acetone_M	0	0	0	3.16E-05	8.0029E-05	5.66E-05	-1.13E-04	0.00013025	1.72E-04	-5.98E-05	0.000194791	0.000186383	5.24E-05	0.000175954	9.89E-05	-8.20E-05	9.94811E-05	0.000309904	-2.10E-05	0.000225814	0.000254506	1.81E-04	0.000279701	0.00034023	1.32E-04	0.000242991	3.31E-04	1.33E-04	0.000118494	1.77E-04	3.53E-04	0.000293812	3.67E-04	3.01E-04	0.000532859	0.000526411	3.29E-04	0.000418721	3.80E-04	3.69E-04	0.000496951	0.000373427	2.30E-04	0.000577496	5.76E-04	4.32E-04	0.000396041	0.000472308	4.67E-04	0.000419614	3.52E-04
Glu_M	0	0	0	-2.54E-04	-0.000240926	-5.06E-04	-8.70E-04	-0.000391093	-4.02E-04	-9.23E-04	-0.000472668	-0.000466544	-2.81E-04	-0.000268716	-2.85E-04	-5.14E-04	-7.49655E-05	9.42491E-06	-4.47E-04	-0.000219406	-0.000210005	-3.16E-04	-9.12229E-05	-0.000398605	-5.83E-04	-0.000293812	1.89E-05	-4.38E-04	-0.000335402	-4.08E-04	-4.48E-04	-0.000382036	-5.16E-04	-9.96E-04	-0.000417875	-0.000561932	-2.94E-04	-0.00031432	-3.17E-04	-6.79E-05	-7.09953E-05	-0.000131262	-7.69E-04	3.55287E-05	-4.08E-04	-3.54E-04	-0.00025082	-0.000266322	-1.81E-04	-0.000210115	-5.68E-04
Pyr_M	0	0	0	-8.30E-04	-0.001033455	-1.45E-03	-2.41E-03	-0.002154484	-2.29E-03	-3.46E-03	-0.003296352	-0.00347336	-3.84E-03	-0.004077459	-3.85E-03	-6.40E-03	-0.006321081	-0.005659896	-8.71E-03	-0.008769286	-0.008645057	-1.10E-02	-0.011058231	-0.011274798	-1.45E-02	-0.013972224	-1.36E-02	-9.78E-04	-0.001138789	-1.43E-03	-2.25E-03	-0.002056464	-1.91E-03	-3.65E-03	-0.003078889	-0.002557425	-4.28E-03	-0.004163223	-4.44E-03	-6.70E-03	-0.006466324	-0.006107497	-1.04E-02	-0.00900307	-9.24E-03	-1.29E-02	-0.012629614	-0.012090816	-1.55E-02	-0.015355566	-1.59E-02
PyroGlu_M	0	0	0	7.93E-04	0.000715228	6.64E-04	1.48E-03	0.001660919	1.69E-03	1.76E-03	0.002061131	0.002163108	2.85E-03	0.002927107	2.86E-03	3.58E-03	0.003599463	0.003814613	4.58E-03	0.004691027	0.004719677	5.51E-03	0.00538636	0.005415053	5.76E-03	0.006056616	6.52E-03	7.40E-04	0.000709109	8.12E-04	1.92E-03	0.001725313	1.84E-03	1.96E-03	0.002314863	0.002112058	2.97E-03	0.003135653	3.08E-03	3.93E-03	0.003939423	0.003959639	4.75E-03	0.004956667	4.72E-03	5.63E-03	0.005628384	0.005604127	6.75E-03	0.006146697	5.95E-03
Succ(+PyroGlu)_M	0	0	0	1.10E-03	0.00096537	9.29E-04	1.85E-03	0.002115022	2.14E-03	2.07E-03	0.0024694	0.002579496	3.52E-03	0.003489104	3.48E-03	4.12E-03	0.004153319	0.004337673	5.07E-03	0.00511297	0.005169791	6.04E-03	0.005767707	0.005788691	6.10E-03	0.006512762	7.12E-03	9.34E-04	0.00092675	1.09E-03	2.30E-03	0.002359923	2.21E-03	2.23E-03	0.002693242	0.002552401	3.65E-03	0.00380193	3.65E-03	4.53E-03	0.00452024	0.004637513	5.03E-03	0.005508124	5.09E-03	6.04E-03	0.006085577	0.006112192	7.43E-03	0.006692617	6.32E-03
Gln_M	0	0	0	4.00E-03	0.004328443	4.36E-03	2.64E-03	0.003776731	3.92E-03	4.54E-04	0.002228447	0.001965567	-2.65E-03	-0.002536635	-2.76E-03	-1.33E-02	-0.011210571	-0.01027152	-2.36E-02	-0.022120261	-0.021977147	-3.14E-02	-0.030635639	-0.032166827	-3.76E-02	-0.036378543	-3.64E-02	3.92E-03	0.003971414	3.95E-03	3.51E-03	0.003778126	3.16E-03	2.04E-04	0.002101843	0.001826995	-2.84E-03	-0.00291562	-3.04E-03	-1.09E-02	-0.010706887	-0.010796232	-2.48E-02	-0.02043615	-2.23E-02	-3.23E-02	-0.032368422	-0.031504584	-3.74E-02	-0.036417951	-3.84E-02
Citrate_M	0	0	0	1.99E-04	0.000204571	1.41E-04	3.44E-04	0.000576571	6.05E-04	4.55E-04	0.000696263	0.000726372	1.51E-03	0.001737469	1.71E-03	4.23E-03	0.004172954	0.004690637	1.35E-02	0.013510141	0.013658531	2.30E-02	0.022178563	0.022404967	2.54E-02	0.025491805	2.57E-02	2.37E-04	0.000244537	2.61E-04	8.75E-04	0.000745146	7.34E-04	7.80E-04	0.001062311	0.000818689	1.82E-03	0.001892544	1.93E-03	4.55E-03	0.004533444	0.004690751	1.26E-02	0.012519692	1.23E-02	2.20E-02	0.021550131	0.021465159	2.48E-02	0.024636303	2.44E-02
Met_M	0	0	0	1.10E-05	-1.8217E-05	1.62E-05	-1.06E-04	1.68922E-06	6.03E-05	-1.26E-04	-7.01466E-06	-1.0656E-05	-1.07E-04	-3.36566E-05	-7.68E-05	-3.39E-04	-0.000276058	-4.63903E-05	-3.34E-04	-0.000231947	-0.000231296	-2.81E-04	-0.000344955	-0.000242077	-3.87E-04	-0.000326308	-2.72E-04	-8.55E-07	3.11321E-05	1.03E-04	1.49E-04	8.25365E-05	1.37E-04	-7.83E-06	0.000147467	0.000114211	6.57E-05	6.45749E-05	2.82E-05	-1.35E-05	6.68745E-06	-2.84571E-05	-2.49E-04	-2.80176E-05	-1.37E-04	-1.74E-04	-0.000175702	-0.000186392	-1.75E-04	-0.000201481	-3.01E-04
Asp_M	0	0	0	1.17E-05	-5.21685E-05	-9.43E-05	-5.64E-05	3.01669E-05	4.40E-05	-1.35E-04	-8.70907E-06	1.38927E-05	-4.08E-05	-1.6457E-05	3.96E-05	-3.30E-04	-0.000191094	-2.00472E-05	-6.68E-04	-0.000469428	-0.000531737	-8.77E-04	-0.000875362	-0.000957611	-1.17E-03	-0.001055687	-1.06E-03	-5.71E-05	-4.2094E-05	-4.41E-05	5.34E-05	6.17187E-05	-1.67E-05	-2.13E-04	2.45592E-05	-5.3865E-05	-4.77E-06	-7.05832E-06	-4.23E-05	-1.67E-05	-6.81336E-05	-0.000153252	-6.58E-04	-0.00031341	-6.36E-04	-7.56E-04	-0.000780701	-0.000883198	-8.44E-04	-0.000943299	-1.18E-03
Asn_M	0	0	0	1.97E-05	-0.000221561	-2.16E-04	-7.85E-04	0.000278204	5.04E-04	-9.75E-04	0.000380772	0.000324631	-4.32E-04	-4.70304E-05	-2.81E-04	-2.78E-03	-0.001053991	0.000241531	-2.92E-03	-0.001835333	-0.00191818	-2.88E-03	-0.002243102	-0.002730677	-4.21E-03	-0.003004032	-2.70E-03	5.05E-06	5.25318E-06	1.54E-04	7.60E-04	0.000573482	3.27E-04	-7.33E-04	0.00116717	0.000423951	-1.71E-05	0.000288238	-6.78E-05	-2.30E-04	-0.000272856	-0.000788928	-3.21E-03	-0.000589395	-1.93E-03	-2.71E-03	-0.002851256	-0.00296385	-2.87E-03	-0.00330175	-4.49E-03
Lys_M	0	0	0	3.71E-05	8.70661E-05	-3.55E-05	-3.41E-04	0.000102978	1.48E-04	-4.81E-04	2.6262E-05	3.025E-05	-1.98E-04	-8.90859E-05	-2.12E-04	-9.61E-04	-0.000531135	-0.000180191	-9.65E-04	-0.000764071	-0.000787768	-9.63E-04	-0.000833084	-0.001066094	-1.45E-03	-0.001187512	-1.05E-03	-4.83E-05	5.10936E-05	-1.17E-04	-8.18E-05	8.40731E-05	-3.94E-05	-5.50E-04	0.000101323	-9.7673E-05	-2.72E-04	-0.000363371	-2.73E-04	-4.67E-04	-0.000516047	-0.000587349	-1.46E-03	-0.000634049	-1.16E-03	-1.28E-03	-0.001295294	-0.001309331	-1.44E-03	-0.001398005	-1.82E-03
Cr(+Tyr)_M	0	0	0	6.03E-05	2.97668E-05	-1.35E-06	-5.32E-05	7.96596E-05	7.26E-05	-1.17E-04	3.65033E-05	2.81486E-05	2.58E-05	6.10973E-05	3.33E-05	-2.43E-04	-9.56656E-05	8.05651E-05	-2.01E-04	-0.00014088	-0.000131181	-9.72E-05	-3.4064E-05	-0.000254302	-2.32E-04	-0.000143486	-1.50E-04	7.01E-06	2.28395E-05	2.36E-05	7.08E-05	9.15821E-05	3.16E-05	-1.61E-04	5.88807E-05	-1.25195E-05	3.66E-05	3.8912E-06	2.60E-05	8.79E-06	-6.16872E-05	-5.48446E-05	-3.11E-04	-5.85938E-05	-4.36E-04	-1.52E-04	-0.000141481	-0.000240726	-1.58E-04	-0.000182784	-3.75E-04
Cysteine_M	0	0	0	9.26E-05	5.51171E-05	5.87E-05	1.34E-04	0.000210651	2.52E-04	1.67E-04	0.000274329	0.000253297	4.41E-04	0.000487838	4.62E-04	6.08E-04	0.000703212	0.000905544	9.54E-04	0.001062893	0.001048196	1.31E-03	0.001270533	0.001416375	1.36E-03	0.001489635	1.57E-03	9.96E-05	9.11219E-05	1.12E-04	3.09E-04	0.00024531	2.64E-04	1.93E-04	0.000387486	0.000314926	4.91E-04	0.000532494	4.84E-04	8.40E-04	0.000875105	0.000811827	9.88E-04	0.001208574	1.22E-03	1.37E-03	0.001366398	0.001397064	1.57E-03	0.001489432	1.45E-03
Cystine_M	0	0	0	3.69E-05	-0.000194119	-1.57E-04	-3.40E-04	-0.000137588	-1.27E-04	-5.35E-04	-0.000282164	-0.000315372	-4.77E-04	-0.000366178	-4.25E-04	-1.17E-03	-0.000834726	-0.0005206	-1.31E-03	-0.001068282	-0.001164195	-1.43E-03	-0.001471717	-0.001439977	-1.86E-03	-0.001644623	-1.61E-03	-2.15E-05	-0.00011312	2.31E-06	-4.63E-05	-0.000168118	-5.64E-05	-6.01E-04	-0.000142126	-0.000214217	-3.71E-04	-0.000358726	-4.41E-04	-4.98E-04	-0.00063454	-0.000717653	-1.40E-03	-0.000848995	-1.22E-03	-1.43E-03	-0.00143684	-0.001537375	-1.58E-03	-0.001618224	-2.00E-03
Cho_M	0	0	0	4.64E-04	0.000283888	2.67E-04	4.70E-04	0.000670839	7.57E-04	4.83E-04	0.000763056	0.000713779	6.98E-04	0.000807621	7.25E-04	1.99E-04	0.000455752	0.000917296	3.83E-05	0.00024163	0.00035092	5.40E-04	0.000406699	0.000643915	6.25E-04	0.00079646	1.22E-03	4.96E-04	0.000291944	4.81E-04	8.97E-04	0.000777988	8.76E-04	7.07E-04	0.001024425	0.001027992	8.80E-04	0.000968655	8.15E-04	8.43E-04	0.000772189	0.001147866	2.47E-04	0.000725869	7.09E-04	7.01E-04	0.000727731	0.000832895	1.03E-03	0.000961469	8.01E-04
Gly_M	0	0	0	4.66E-04	0.001266302	8.42E-04	-2.87E-04	0.000884068	1.12E-03	-1.95E-04	0.001118074	0.001144299	1.40E-03	0.001208266	3.92E-04	5.37E-04	0.001921285	0.001328091	5.86E-04	0.001086468	0.001317284	1.47E-03	0.000987051	0.005467283	2.03E-03	0.003171419	6.29E-03	9.50E-04	0.000813549	7.61E-04	1.15E-03	0.000490861	1.22E-03	5.66E-04	0.00178348	0.001608343	6.38E-04	0.001209212	7.41E-04	5.98E-04	0.002388434	0.001684006	2.04E-04	0.001304628	4.17E-03	7.15E-04	0.001121727	0.004161173	1.99E-03	0.002809346	3.83E-03
Lac_M	0	0	0	1.87E-03	0.001792031	1.65E-03	3.90E-03	0.004093968	4.34E-03	5.31E-03	0.005589256	0.005524001	1.23E-02	0.011966632	1.20E-02	2.25E-02	0.021780464	0.021557111	3.30E-02	0.032326698	0.032618488	4.18E-02	0.041150408	0.041201888	4.51E-02	0.044958936	4.56E-02	1.56E-03	0.001607334	1.73E-03	4.29E-03	0.00418168	4.11E-03	5.09E-03	0.005723241	0.005791162	1.15E-02	0.011343305	1.19E-02	2.06E-02	0.020155713	0.021418255	3.03E-02	0.029513999	3.00E-02	3.88E-02	0.038767884	0.038867839	4.26E-02	0.042337699	4.25E-02
Thr_M	0	0	0	9.76E-05	0.000296294	3.47E-05	-6.27E-04	5.48959E-05	1.63E-04	-8.50E-04	-2.9688E-05	-2.91519E-06	6.21E-05	-0.000104791	-8.63E-05	-5.67E-04	-0.000340347	-0.000150638	-1.28E-03	-0.00088118	-0.000740898	-9.28E-04	-0.00044934	-0.001408945	-1.52E-03	-0.000995685	-6.38E-04	-1.55E-05	0.000171576	-4.45E-06	2.21E-04	0.000198586	5.51E-05	-4.28E-04	0.000291728	3.68696E-05	2.72E-05	1.84372E-05	2.46E-04	-2.59E-04	-8.14303E-05	7.65609E-05	-1.39E-03	-0.000247541	-1.12E-03	-1.14E-03	-0.001143393	-0.000595661	-1.02E-03	-0.000974357	-1.48E-03
Glucose_M	0	0	0	-1.24E-03	-0.000531216	-1.80E-03	-6.25E-03	-0.00371664	-3.44E-03	-8.60E-03	-0.006119484	-0.006076449	-1.12E-02	-0.011228446	-1.15E-02	-2.46E-02	-0.02186745	-0.020895021	-3.85E-02	-0.036609175	-0.036261303	-4.72E-02	-0.046769292	-0.048399124	-5.39E-02	-0.052135848	-5.10E-02	-2.40E-03	-0.001309094	-2.84E-03	-5.45E-03	-0.004429056	-5.46E-03	-9.56E-03	-0.006908162	-0.007348895	-1.20E-02	-0.012457092	-1.24E-02	-2.16E-02	-0.021313657	-0.021490982	-3.90E-02	-0.033004776	-3.69E-02	-4.69E-02	-0.046409651	-0.045905035	-5.05E-02	-0.049883638	-5.25E-02
Tyr_M	0	0	0	-1.13E-04	-4.06731E-05	-2.79E-04	-6.90E-04	-0.000193095	-1.45E-04	-9.21E-04	-0.000314801	-0.00038045	-5.09E-04	-0.000602498	-6.71E-04	-1.98E-03	-0.000942406	-0.000972952	-2.23E-03	-0.002043113	-0.002001723	-2.35E-03	-0.001769306	-0.002701285	-2.93E-03	-0.002443521	-2.30E-03	-2.41E-04	-0.000151282	-2.70E-04	-2.88E-04	-0.000301966	-3.82E-04	-1.06E-03	-0.000351296	-0.000493948	-7.58E-04	-0.000802399	-6.47E-04	-1.10E-03	-0.00135093	-0.001198555	-2.91E-03	-0.001747631	-2.41E-03	-2.77E-03	-0.002913767	-0.00280268	-2.97E-03	-0.002919296	-3.55E-03
His_M	0	0	0	-2.91E-04	-0.000237808	-3.34E-04	-3.41E-04	-0.000317793	-1.93E-04	-3.26E-04	-0.000185732	-0.00021543	9.45E-05	-0.000203792	-1.19E-04	-1.77E-04	0.000191756	5.24326E-05	9.70E-05	-7.1178E-05	3.52004E-05	1.74E-04	0.00077365	-7.97058E-06	9.07E-05	0.000391142	4.54E-04	-4.08E-04	-0.000320994	-6.69E-04	-5.67E-04	-0.000561542	-5.15E-04	-7.07E-04	-0.000490713	-0.000495999	-4.24E-04	-0.000576172	-3.04E-04	-2.39E-04	-0.000539513	-0.000293602	-5.24E-04	-0.000280063	-5.47E-04	-3.91E-04	-0.000575511	-0.000323106	-5.23E-04	-0.000339115	-5.13E-04
Phe_M	0	0	0	-2.65E-04	-0.000131899	-3.03E-04	-8.01E-04	-0.000390659	-3.38E-04	-1.01E-03	-0.000563552	-0.000597269	-7.08E-04	-0.000775688	-8.81E-04	-1.76E-03	-0.001171449	-0.001135303	-2.10E-03	-0.001960617	-0.001900867	-2.29E-03	-0.001975812	-0.002451586	-2.75E-03	-0.002444079	-2.33E-03	-3.77E-04	-0.000272027	-3.60E-04	-5.03E-04	-0.000505393	-5.96E-04	-1.15E-03	-0.000619204	-0.000701083	-9.53E-04	-0.00098469	-8.92E-04	-1.32E-03	-0.001430333	-0.00135913	-2.68E-03	-0.001858947	-2.14E-03	-2.66E-03	-0.002679864	-0.002653043	-2.87E-03	-0.002786816	-3.18E-03
Trp_M	0	0	0	-1.79E-04	-0.000107141	-1.54E-04	-1.82E-04	-0.000222863	-1.52E-04	-1.82E-04	-0.000177729	-0.000182444	-3.28E-05	-0.000258252	-9.94E-05	-1.37E-04	-1.42199E-06	-0.000220194	-2.86E-04	-0.000298067	-0.000275418	-2.67E-04	0.000112441	-0.000384922	-3.42E-04	-0.000114579	-1.89E-05	-1.82E-04	-0.000139236	-2.07E-04	-2.31E-04	-0.000270904	-2.13E-04	-3.05E-04	-0.000274308	-0.000226289	-2.13E-04	-0.000292507	-1.47E-04	-1.81E-04	-0.000301983	-0.000145042	-4.04E-04	-0.00025409	-4.15E-04	-3.21E-04	-0.000517555	-0.000233974	-3.48E-04	-0.000310988	-4.01E-04
Formate_M	0	0	0	5.62E-05	4.76245E-05	5.29E-05	1.23E-04	9.41556E-05	9.90E-05	1.84E-04	0.000133692	0.000124161	3.35E-04	0.000246306	3.00E-04	5.81E-04	0.000606571	0.000486608	7.66E-04	0.000718149	0.000861015	1.05E-03	0.001150513	0.001039351	1.20E-03	0.001257547	1.29E-03	4.53E-05	6.01133E-05	2.84E-05	7.44E-05	8.32496E-05	1.06E-04	1.38E-04	0.000124683	0.000121309	2.63E-04	0.000241933	3.21E-04	5.50E-04	0.000478967	0.000535096	7.27E-04	0.000713413	7.54E-04	1.03E-03	0.000925777	0.000991813	1.15E-03	0.001105287	1.15E-03
Leu_P	0.003714792	0.00430132	0.004096525	0	0	0	0	0	0	0.003258934	0.004496857	0.003475379	0	0	0	0	0	0	0	0	0	0	0	0	0.003780462	0.003636856	0.004239506	0	0	0	0	0	0	0.004019191	0.002515849	0.002708338	0	0	0	0	0	0	0	0	0	0	0	0	0.004571618	0.00429885	0.004238752
Ile_P	0.000832425	0.000878432	0.000691624	0	0	0	0	0	0	0.000745914	0.000353836	0.000556385	0	0	0	0	0	0	0	0	0	0	0	0	0.000478529	0.000474687	0.000615207	0	0	0	0	0	0	0.000282439	0.00047686	0.000402614	0	0	0	0	0	0	0	0	0	0	0	0	0.000536356	0.000567147	0.000630062
Val_P	0.000824917	0.000985805	0.001010653	0	0	0	0	0	0	0.000506452	0.000497408	0.000472933	0	0	0	0	0	0	0	0	0	0	0	0	0.000749165	0.000702308	0.000867466	0	0	0	0	0	0	0.000742969	0.000542866	0.000214721	0	0	0	0	0	0	0	0	0	0	0	0	0.000861379	0.000938485	0.000917803
Ala_P	0.027262954	0.034524647	0.033209334	0	0	0	0	0	0	0.014697005	0.015197119	0.013171622	0	0	0	0	0	0	0	0	0	0	0	0	0.007587213	0.007614779	0.009111068	0	0	0	0	0	0	0.016550529	0.015680896	0.016275539	0	0	0	0	0	0	0	0	0	0	0	0	0.009702658	0.00840683	0.009602093
Acetate_P	0.006711679	0.006120619	0.006681451	0	0	0	0	0	0	0.012308607	0.011876697	0.009642858	0	0	0	0	0	0	0	0	0	0	0	0	0.003040569	0.003425235	0.003146338	0	0	0	0	0	0	0.011917411	0.012218301	0.011392705	0	0	0	0	0	0	0	0	0	0	0	0	0.004160626	0.003402775	0.003422823
Pro_P	0.004446857	0.0035323	0.003337086	0	0	0	0	0	0	0.003728775	0.005524921	0.004007014	0	0	0	0	0	0	0	0	0	0	0	0	0.003222529	0.003351698	0.003489317	0	0	0	0	0	0	0.004807987	0.004850502	0.004506509	0	0	0	0	0	0	0	0	0	0	0	0	0.003529193	0.003164203	0.003632382
Glu_P	0.041427041	0.04651926	0.048859756	0	0	0	0	0	0	0.061769266	0.062423317	0.060406497	0	0	0	0	0	0	0	0	0	0	0	0	0.038485459	0.037522504	0.039828594	0	0	0	0	0	0	0.05628752	0.054179873	0.053065051	0	0	0	0	0	0	0	0	0	0	0	0	0.044226292	0.037777731	0.039025163
Succinate_P	0.002415434	0.002811393	0.002396097	0	0	0	0	0	0	0.00244827	0.002096068	0.002107516	0	0	0	0	0	0	0	0	0	0	0	0	0.00153995	0.001542974	0.001820446	0	0	0	0	0	0	0.002531116	0.001842965	0.001949186	0	0	0	0	0	0	0	0	0	0	0	0	0.001725231	0.001561492	0.001944716
Gln_P	0.002769428	0.003413042	0.002272779	0	0	0	0	0	0	0.001147324	0.001775317	0.00194278	0	0	0	0	0	0	0	0	0	0	0	0	0.001110757	0.001246586	0.000913209	0	0	0	0	0	0	0.001813694	0.00229809	0.001189374	0	0	0	0	0	0	0	0	0	0	0	0	0.000904964	0.000831047	0.001448301
Asp_P	0.005110247	0.005212746	0.005673279	0	0	0	0	0	0	0.006598331	0.006326854	0.006169455	0	0	0	0	0	0	0	0	0	0	0	0	0.007566853	0.007255708	0.006333727	0	0	0	0	0	0	0.005552502	0.00640332	0.005734291	0	0	0	0	0	0	0	0	0	0	0	0	0.008324975	0.006487748	0.006235789
Cr_P	0.003201389	0.003686633	0.003724627	0	0	0	0	0	0	0.002660963	0.002842792	0.003215106	0	0	0	0	0	0	0	0	0	0	0	0	0.002886673	0.002796344	0.00385034	0	0	0	0	0	0	0.002745298	0.00311273	0.002826505	0	0	0	0	0	0	0	0	0	0	0	0	0.003528536	0.003013792	0.003145413
PCr_P	0.001040822	0.001176483	0.001220784	0	0	0	0	0	0	0.002294963	0.002028464	0.002052225	0	0	0	0	0	0	0	0	0	0	0	0	0.000988842	0.00095367	0.00091593	0	0	0	0	0	0	0.002126859	0.001792187	0.00176209	0	0	0	0	0	0	0	0	0	0	0	0	0.001066855	0.000786759	0.000884773
Cho_P	0.000894307	0.000815713	0.000965147	0	0	0	0	0	0	0.000967346	0.000438146	0.000748538	0	0	0	0	0	0	0	0	0	0	0	0	0.002677205	0.00226378	0.002639569	0	0	0	0	0	0	0.000628635	0.000719367	0.000243166	0	0	0	0	0	0	0	0	0	0	0	0	0.002405384	0.002262925	0.002440528
PCho_P	0.010563583	0.011495763	0.012917164	0	0	0	0	0	0	0.010244137	0.009678285	0.009916391	0	0	0	0	0	0	0	0	0	0	0	0	0.012107975	0.011217789	0.011340613	0	0	0	0	0	0	0.008406371	0.008640623	0.007257951	0	0	0	0	0	0	0	0	0	0	0	0	0.013412869	0.011347025	0.010980036
GPC_P	0.002360636	0.002498023	0.002857719	0	0	0	0	0	0	0.003086489	0.003040816	0.003238816	0	0	0	0	0	0	0	0	0	0	0	0	0.006897491	0.006079198	0.006736841	0	0	0	0	0	0	0.003048049	0.003132324	0.002054364	0	0	0	0	0	0	0	0	0	0	0	0	0.006580484	0.006341446	0.006399438
Tau_P	0.001724013	0.001965595	0.00218975	0	0	0	0	0	0	0.002343188	0.002197094	0.002229745	0	0	0	0	0	0	0	0	0	0	0	0	0.005814369	0.00571387	0.005919157	0	0	0	0	0	0	0.00225884	0.002463208	0.001922319	0	0	0	0	0	0	0	0	0	0	0	0	0.006814115	0.005684574	0.005650561
Gly_P	0.016538029	0.018531489	0.020006581	0	0	0	0	0	0	0.009932215	0.008802812	0.008583161	0	0	0	0	0	0	0	0	0	0	0	0	0.006357248	0.00610586	0.00676088	0	0	0	0	0	0	0.008626794	0.008048041	0.0080195	0	0	0	0	0	0	0	0	0	0	0	0	0.007362618	0.006318341	0.006331864
Glycerol_P	0.014926922	0.004855311	0.011994132	0	0	0	0	0	0	0.018661598	0.008455244	0.00500657	0	0	0	0	0	0	0	0	0	0	0	0	0.003244634	0.003401632	0.004545152	0	0	0	0	0	0	0.010165826	0.007316248	0.008232072	0	0	0	0	0	0	0	0	0	0	0	0	0.004531892	0.003417892	0.004121961
m-Ino_P	0.01214733	0.013949049	0.014826007	0	0	0	0	0	0	0.006786073	0.007093644	0.006625767	0	0	0	0	0	0	0	0	0	0	0	0	0.016263126	0.015851794	0.016148431	0	0	0	0	0	0	0.006049125	0.00685978	0.005753224	0	0	0	0	0	0	0	0	0	0	0	0	0.017928561	0.015291762	0.014983208
Lac_P	0.001867873	0.003690281	0.002799111	0	0	0	0	0	0	0.001995869	0.002158545	0.002726665	0	0	0	0	0	0	0	0	0	0	0	0	0.002326253	0.002318153	0.002717406	0	0	0	0	0	0	0.002381838	0.001642205	0.001923691	0	0	0	0	0	0	0	0	0	0	0	0	0.00246925	0.002636661	0.002582976
Glucose_P	-0.000422896	0.000175634	-0.000273869	0	0	0	0	0	0	-0.000408876	-0.000878815	-0.000565689	0	0	0	0	0	0	0	0	0	0	0	0	0.000706632	0.000872035	0.000472672	0	0	0	0	0	0	-0.000699912	-8.6548E-05	-8.75649E-05	0	0	0	0	0	0	0	0	0	0	0	0	-0.000378385	0.000601952	0.000273506
UDP-GlcNAc_P	0.000160268	0.00075384	0.000535628	0	0	0	0	0	0	-0.000212413	-0.000567587	-0.000258464	0	0	0	0	0	0	0	0	0	0	0	0	0.001565184	0.001003041	0.001181089	0	0	0	0	0	0	-0.00126618	-3.16216E-05	-0.000442639	0	0	0	0	0	0	0	0	0	0	0	0	0.00026849	0.001366429	0.001442587
Tyr_P	0.000654329	0.000323767	0.000694701	0	0	0	0	0	0	0.000198569	0.000117616	0.000748927	0	0	0	0	0	0	0	0	0	0	0	0	0.00080517	0.000913787	0.001005042	0	0	0	0	0	0	9.45924E-05	-1.87016E-05	0.000883997	0	0	0	0	0	0	0	0	0	0	0	0	0.000606448	0.00126646	0.000773493
Inosine_P	-7.37585E-05	-9.40804E-05	0.000162415	0	0	0	0	0	0	-0.000182114	-0.000153246	-7.68812E-05	0	0	0	0	0	0	0	0	0	0	0	0	0.000113536	0.000161665	0.000215989	0	0	0	0	0	0	-0.000137987	-5.64898E-05	0.000239841	0	0	0	0	0	0	0	0	0	0	0	0	0.000208947	0.000492968	0.000269161
NAD+_P	0.000969327	0.000674968	0.00086793	0	0	0	0	0	0	0.000450863	0.001026661	0.000814878	0	0	0	0	0	0	0	0	0	0	0	0	0.000854021	0.000847179	0.000791598	0	0	0	0	0	0	0.000714792	0.000480942	0.00075622	0	0	0	0	0	0	0	0	0	0	0	0	0.000668087	0.00081287	0.000677323
Formate_P	0.001394265	0.001548042	0.001306824	0	0	0	0	0	0	0.002892389	0.0022914	0.002919558	0	0	0	0	0	0	0	0	0	0	0	0	0.00075499	0.000555293	0.000551844	0	0	0	0	0	0	0.002973053	0.002168556	0.003191334	0	0	0	0	0	0	0	0	0	0	0	0	0.000603175	0.000615233	0.000333296
ADP_P	0.002329956	0.0023397	0.002397131	0	0	0	0	0	0	0.002456689	0.002788601	0.002738764	0	0	0	0	0	0	0	0	0	0	0	0	0.002615783	0.002522262	0.002277727	0	0	0	0	0	0	0.002789205	0.002598192	0.002760121	0	0	0	0	0	0	0	0	0	0	0	0	0.002597261	0.002287644	0.002092082
ATP_P	0.002837591	0.003540362	0.003816283	0	0	0	0	0	0	0.003334929	0.003561619	0.003826087	0	0	0	0	0	0	0	0	0	0	0	0	0.002788101	0.002777833	0.002613444	0	0	0	0	0	0	0.003091879	0.003270362	0.003600034	0	0	0	0	0	0	0	0	0	0	0	0	0.003014738	0.002431875	0.00206682
AMP_P	7.49739E-05	5.64011E-05	0.000131835	0	0	0	0	0	0	-0.00017248	0.000197274	0.000230421	0	0	0	0	0	0	0	0	0	0	0	0	0.000533801	0.000562024	0.000937167	0	0	0	0	0	0	0.000309118	-1.76019E-05	0.000729484	0	0	0	0	0	0	0	0	0	0	0	0	0.000524384	0.000560661	0.000765267
Asn_P	0.001176894	0.000969713	0.001034902	0	0	0	0	0	0	0.000341859	0.000183949	0.000709268	0	0	0	0	0	0	0	0	0	0	0	0	0.000939711	0.000951865	0.000788309	0	0	0	0	0	0	0.000235844	0.000464429	2.86954E-05	0	0	0	0	0	0	0	0	0	0	0	0	0.000863228	0.00097032	0.000899946
GSH_P	0.002758703	0.002988199	0.002675634	0	0	0	0	0	0	0.003234651	0.003972426	0.004342646	0	0	0	0	0	0	0	0	0	0	0	0	0.002926448	0.003035786	0.002923686	0	0	0	0	0	0	0.003806639	0.003869249	0.003362434	0	0	0	0	0	0	0	0	0	0	0	0	0.003508205	0.003356406	0.003084498
Thr_P	0.002489305	0.002412418	0.003054722	0	0	0	0	0	0	0.001994772	0.001322396	0.001133407	0	0	0	0	0	0	0	0	0	0	0	0	0.001066658	0.001180508	0.001099111	0	0	0	0	0	0	0.001334	0.001238198	0.001190516	0	0	0	0	0	0	0	0	0	0	0	0	0.00114582	0.001195005	0.00110926
Plasmalogens_L	0.000535064	0.000347199	0.000502879	0	0	0	0	0	0	0.000357548	0.000665215	0.000584885	0	0	0	0	0	0	0	0	0	0	0	0	0.001022549	0.000882515	0.00109929	0	0	0	0	0	0	0.000805942	0.000400381	0.000587229	0	0	0	0	0	0	0	0	0	0	0	0	0.000868057	0.000975347	0.001023092
SM_L	0.000410147	0.000318175	0.000582655	0	0	0	0	0	0	0.000227546	0.000626935	0.000390738	0	0	0	0	0	0	0	0	0	0	0	0	0.001027798	0.00097554	0.001208163	0	0	0	0	0	0	0.000812531	8.07496E-05	0.000577371	0	0	0	0	0	0	0	0	0	0	0	0	0.00102609	0.0011673	0.001079653
GPLs_L	0.00372336	0.003524447	0.003932135	0	0	0	0	0	0	0.003458752	0.004350853	0.005318514	0	0	0	0	0	0	0	0	0	0	0	0	0.006582624	0.005730184	0.006640361	0	0	0	0	0	0	0.004237234	0.003407914	0.00470182	0	0	0	0	0	0	0	0	0	0	0	0	0.005673822	0.00623504	0.006490258
UFAs_L	0.025336868	0.025190828	0.026895232	0	0	0	0	0	0	0.022945101	0.027350551	0.036333222	0	0	0	0	0	0	0	0	0	0	0	0	0.041424678	0.036011245	0.040971815	0	0	0	0	0	0	0.027244239	0.024425983	0.033188022	0	0	0	0	0	0	0	0	0	0	0	0	0.036394876	0.039678632	0.040490865
1-MG_L	0.003690404	0.003436802	0.00214598	0	0	0	0	0	0	0.005743877	0.004619792	0.002030637	0	0	0	0	0	0	0	0	0	0	0	0	0.002150405	0.003357485	0.002230601	0	0	0	0	0	0	0.00540625	0.005961383	0.002021313	0	0	0	0	0	0	0	0	0	0	0	0	0.003386445	0.002597481	0.002217189
PtdCho_L	0.020613843	0.02168905	0.023093332	0	0	0	0	0	0	0.018347499	0.024842111	0.034408812	0	0	0	0	0	0	0	0	0	0	0	0	0.034445616	0.029291456	0.034623871	0	0	0	0	0	0	0.02186222	0.022581131	0.028170565	0	0	0	0	0	0	0	0	0	0	0	0	0.029580421	0.032784238	0.033932737
SMs+LysoPC_L	0.002904505	0.003058776	0.003246912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00806004	0.006884876	0.007832784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.006993871	0.007893569	0.007863787
PUFAs w/ LA_L	0.015488583	0.015450454	0.01639934	0	0	0	0	0	0	0.016726543	0.018037511	0.022973197	0	0	0	0	0	0	0	0	0	0	0	0	0.022483348	0.019500432	0.022200842	0	0	0	0	0	0	0.01874656	0.01624574	0.020655472	0	0	0	0	0	0	0	0	0	0	0	0	0.020199377	0.021556843	0.022038777
PUFAs_L	0.014581635	0.014510564	0.015375449	0	0	0	0	0	0	0.015427825	0.01697147	0.021884966	0	0	0	0	0	0	0	0	0	0	0	0	0.021546124	0.018615199	0.021244509	0	0	0	0	0	0	0.017533197	0.015365305	0.019763279	0	0	0	0	0	0	0	0	0	0	0	0	0.019255602	0.020646768	0.021105751
LA_L	0.000890907	0.000926358	0.001005623	0	0	0	0	0	0	0.001263294	0.001041583	0.001069061	0	0	0	0	0	0	0	0	0	0	0	0	0.00092194	0.000865437	0.000936785	0	0	0	0	0	0	0.001173632	0.000862101	0.000873847	0	0	0	0	0	0	0	0	0	0	0	0	0.00092716	0.000892484	0.000916219
FFAs+Faz in 1-MG_L	0.004115706	0.003934194	0.002476164	0	0	0	0	0	0	0.006353061	0.004984181	0.002229304	0	0	0	0	0	0	0	0	0	0	0	0	0.002054959	0.00350611	0.002039852	0	0	0	0	0	0	0.005812624	0.00685966	0.002441613	0	0	0	0	0	0	0	0	0	0	0	0	0.003699287	0.002561457	0.002095303
FAs in TG+GPL+Echol_L	0.008167721	0.008462896	0.009155578	0	0	0	0	0	0	0.006547298	0.007444266	0.009619218	0	0	0	0	0	0	0	0	0	0	0	0	0.011668927	0.010213656	0.011639701	0	0	0	0	0	0	0.007358488	0.006802672	0.008717645	0	0	0	0	0	0	0	0	0	0	0	0	0.010247607	0.011184983	0.01141089
w3+w6 FA _L	0.007297363	0.007174553	0.0073263	0	0	0	0	0	0	0.007760805	0.008336163	0.010626091	0	0	0	0	0	0	0	0	0	0	0	0	0.009292993	0.00880944	0.009147706	0	0	0	0	0	0	0.008409178	0.00768455	0.009734372	0	0	0	0	0	0	0	0	0	0	0	0	0.009004588	0.008883324	0.0091786
MUFAs_L	0.013051275	0.013309186	0.013796829	0	0	0	0	0	0	0.01154952	0.013684758	0.016945413	0	0	0	0	0	0	0	0	0	0	0	0	0.02263997	0.019754218	0.022375972	0	0	0	0	0	0	0.013079603	0.013111583	0.015456528	0	0	0	0	0	0	0	0	0	0	0	0	0.019809098	0.021263198	0.022148685
FA(CH2)n_L	0.445684793	0.445949069	0.426984048	0	0	0	0	0	0	0.448791163	0.446201056	0.431403706	0	0	0	0	0	0	0	0	0	0	0	0	0.460712961	0.467196341	0.458232345	0	0	0	0	0	0	0.445985194	0.480645582	0.425883342	0	0	0	0	0	0	0	0	0	0	0	0	0.466687135	0.463142003	0.458367058
w3 FA_L	0.002442758	0.002576997	0.002711138	0	0	0	0	0	0	0.002139217	0.00245465	0.002775323	0	0	0	0	0	0	0	0	0	0	0	0	0.002511818	0.002418172	0.002465496	0	0	0	0	0	0	0.002115523	0.002317889	0.002638662	0	0	0	0	0	0	0	0	0	0	0	0	0.002457633	0.002543813	0.002545099
Fchol_L	0.007543587	0.007717312	0.008224197	0	0	0	0	0	0	0.006759032	0.007118486	0.008334352	0	0	0	0	0	0	0	0	0	0	0	0	0.009090301	0.008469917	0.008971704	0	0	0	0	0	0	0.006878624	0.006896382	0.008223036	0	0	0	0	0	0	0	0	0	0	0	0	0.008803438	0.009093195	0.009121705
Tchol_L	0.005628965	0.00572728	0.005998957	0	0	0	0	0	0	0.004634855	0.005353119	0.006960974	0	0	0	0	0	0	0	0	0	0	0	0	0.008911312	0.007878332	0.008801651	0	0	0	0	0	0	0.005362073	0.005038974	0.006455596	0	0	0	0	0	0	0	0	0	0	0	0	0.00836163	0.008817988	0.008831888
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
4M2OV(KIC)_M
Leu_M
Ile_M
Val_M
3-HIBA_M
3M2OV(KIV)_M
3-HBA (d)_M
2-HIBA_M
Ala_M
Arg_M
Acetate_M
Pro_M
Acetone_M
Glu_M
Pyr_M
PyroGlu_M
Succ(+PyroGlu)_M
Gln_M
Citrate_M
Met_M
Asp_M
Asn_M
Lys_M
Cr(+Tyr)_M
Cysteine_M
Cystine_M
Cho_M
Gly_M
Lac_M
Thr_M
Glucose_M
Tyr_M
His_M
Phe_M
Trp_M
Formate_M
Leu_P
Ile_P
Val_P
Ala_P
Acetate_P
Pro_P
Glu_P
Succinate_P
Gln_P
Asp_P
Cr_P
PCr_P
Cho_P
PCho_P
GPC_P
Tau_P
Gly_P
Glycerol_P
m-Ino_P
Lac_P
Glucose_P
UDP-GlcNAc_P
Tyr_P
Inosine_P
NAD+_P
Formate_P
ADP_P
ATP_P
AMP_P
Asn_P
GSH_P
Thr_P
Plasmalogens_L
SM_L
GPLs_L
UFAs_L
1-MG_L
PtdCho_L
SMs+LysoPC_L
PUFAs w/ LA_L
PUFAs_L
LA_L
FFAs+Faz in 1-MG_L
FAs in TG+GPL+Echol_L
w3+w6 FA _L
MUFAs_L
FA(CH2)n_L
w3 FA_L
Fchol_L
Tchol_L
METABOLITES_END
#END