#METABOLOMICS WORKBENCH luoweicool_20221019_160115 DATATRACK_ID:3524 STUDY_ID:ST002322 ANALYSIS_ID:AN003789 VERSION 1 CREATED_ON 10-23-2022 #PROJECT PR:PROJECT_TITLE Metabolomics reveals global metabolic changes between WT and SCAP deficient B PR:PROJECT_TITLE cells PR:PROJECT_TYPE Purified mouse B cells, stimulated in vitro PR:PROJECT_SUMMARY Cellular metabolism regulates almost all critical cellular activities including PR:PROJECT_SUMMARY cell growth, proliferation, energy homeostasis and signaling transduction. SCAP PR:PROJECT_SUMMARY controls SREBP signaling, an important pathway regulating cellular lipid PR:PROJECT_SUMMARY biosynthesis. SCAP KO B cells have multiple defects and cannot form germinal PR:PROJECT_SUMMARY centers. To test whether these defects of SCAP KO B cells are associated with an PR:PROJECT_SUMMARY altered global metabolic state. We stimulated B cells isolated from SCAPfl/fl PR:PROJECT_SUMMARY CD19Cre/+ mice (KO) and SCAP+/+ CD19Cre/+ mice (WT) with ⍺-CD40 or LPS for 24 PR:PROJECT_SUMMARY and 48 hours, followed by targeted metabolomics analysis to evaluate global PR:PROJECT_SUMMARY metabolic changes. We found that the metabolic profiles of unstimulated SCAP KO PR:PROJECT_SUMMARY and WT B cells were largely overlapping, corroborating our findings that SCAP PR:PROJECT_SUMMARY deficiency did not affect B cell development or their metabolic profile at PR:PROJECT_SUMMARY steady state. In contrast, after stimulation with either LPS or ⍺-CD40, SCAP PR:PROJECT_SUMMARY KO and WT B cells were clearly separated at 24 hours, with an even more PR:PROJECT_SUMMARY pronounced separation at 48 hours. SREBP signaling can regulated the metabolism PR:PROJECT_SUMMARY of many ceramides and sphingolipids. For example, PR:PROJECT_SUMMARY lactosyl-N-palmitoyl-sphingosine (d18:1/16:0), one of the lactosylceramides PR:PROJECT_SUMMARY (LacCer), is highly accumulated in SCAP KO B cells activated by either ⍺-CD40 PR:PROJECT_SUMMARY or LPS. Strikingly, besides lipid metabolism, SCAP deficiency also alters many PR:PROJECT_SUMMARY other metabolites that belong to different metabolic pathways such as energy, PR:PROJECT_SUMMARY amino acids, peptide, cofactors and vitamins, nucleotide, carbohydrate, and PR:PROJECT_SUMMARY xenobiotics. Taken together, the metabolomics analysis revealed previously PR:PROJECT_SUMMARY unrecognized roles of SREBP signaling in regulating multiple cellular activities PR:PROJECT_SUMMARY in activated B cells. PR:INSTITUTE Indiana University PR:LAST_NAME Luo PR:FIRST_NAME Wei PR:ADDRESS 950 W Walnut Street - R2 E304, Indianapolis, IN, 46202, USA PR:EMAIL wl47@iu.edu PR:PHONE 3172748042 PR:DOI http://dx.doi.org/10.21228/M8CT5G #STUDY ST:STUDY_TITLE Metabolomics study comparing SCAP KO and WT B cells ST:STUDY_TYPE Purified mouse B cells, stimulated ex vivo ST:STUDY_SUMMARY Splenic B cells isolated from SCAP+/+ CD19-Cre (WT) and SCAPfl/fl CD19-Cre (KO) ST:STUDY_SUMMARY mice were stimulated with LPS or anti-CD40 for 24 and 48 hours. Cells were then ST:STUDY_SUMMARY analyzed by metabolomics. Metabolomics reveals global metabolic changes in SCAP ST:STUDY_SUMMARY deficient B cells. ST:INSTITUTE Indiana University School of Medicine ST:LAST_NAME Luo ST:FIRST_NAME Wei ST:ADDRESS 950 W Walnut Street - R2 E304 ST:EMAIL wl47@iu.edu ST:PHONE 3172748042 ST:SUBMIT_DATE 2022-10-19 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN SCAP fl/fl CD19-Cre (KO) and SCAP+/+ CD19-Cre (WT) SU:CELL_STRAIN_DETAILS Splenic B cell #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - KO_CD40_24hr_1 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_24hr_2 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_24hr_3 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_24hr_4 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_48hr_1 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_48hr_2 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_48hr_3 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_CD40_48hr_4 Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_0hr_1 Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_0hr_2 Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_0hr_3 Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_0hr_4 Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_24hr_1 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_24hr_2 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_24hr_3 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_24hr_4 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_48hr_1 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_48hr_2 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_48hr_3 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - KO_LPS_48hr_4 Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_24hr_1 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_24hr_2 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_24hr_3 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_24hr_4 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_48hr_1 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_48hr_2 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_48hr_3 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_CD40_48hr_4 Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_0hr_1 Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_0hr_2 Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_0hr_3 Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_0hr_4 Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_24hr_1 Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_24hr_2 Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_24hr_3 Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_24hr_4 Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_48hr_1 Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_48hr_2 Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_48hr_3 Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells SUBJECT_SAMPLE_FACTORS - WT_LPS_48hr_4 Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Cell type=Splenic B cells #COLLECTION CO:COLLECTION_SUMMARY Mouse splenic B cells were isolated using STEM CELL B cell isolation kit CO:COLLECTION_SUMMARY (Cat:19854) CO:SAMPLE_TYPE B cells #TREATMENT TR:TREATMENT_SUMMARY Splenic B cells isolated from SCAP+/+ CD19-Cre (WT) and SCAPfl/fl CD19-Cre (KO) TR:TREATMENT_SUMMARY mice were stimulated with 10 micro g/ml LPS or 5 micro g/ml anti-CD40 for 24 and TR:TREATMENT_SUMMARY 48 hours. Freshly isolated untreated WT and KO B cells were used as untreated TR:TREATMENT_SUMMARY control. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample preparation: Proteins were precipitated with methanol under vigorous SP:SAMPLEPREP_SUMMARY shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The SP:SAMPLEPREP_SUMMARY resulting extract was divided into five fractions: two for analysis by two SP:SAMPLEPREP_SUMMARY separate reverse phases (RP)/UPLC-MS/MS methods with positive ion mode SP:SAMPLEPREP_SUMMARY electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with negative SP:SAMPLEPREP_SUMMARY ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, SP:SAMPLEPREP_SUMMARY and one sample was reserved for backup. Samples were placed briefly on a SP:SAMPLEPREP_SUMMARY TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:METHODS_FILENAME B_cell_MS_protocol.docx CH:INSTRUMENT_NAME Waters ACQUITY ultra-performance liquid chromatography (UPLC) CH:COLUMN_NAME Waters UPLC BEH C18 (2.1x100 mm, 1.7 um)/Waters Acquity BEH Amide (150 x 2.1mm, CH:COLUMN_NAME 1.7um) CH:CHROMATOGRAPHY_TYPE Reversed phase/HILIC #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE B_cell_MS_protocol.docx #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Analysis was performed by Metabolon. Ultrahigh Performance Liquid MS:MS_COMMENTS Chromatography-Tandem Mass Spectroscopy (UPLC-MS/MS): All methods utilized a MS:MS_COMMENTS Waters ACQUITY ultra-performance liquid chromatography (UPLC) and a Thermo MS:MS_COMMENTS Scientific Q-Exactive high resolution/accurate mass spectrometer interfaced with MS:MS_COMMENTS a heated electrospray ionization (HESI-II) source and Orbitrap mass analyzer MS:MS_COMMENTS operated at 35,000 mass resolution. The sample extract was dried then MS:MS_COMMENTS reconstituted in solvents compatible with each of the four methods. Each MS:MS_COMMENTS reconstitution solvent contained a series of standards at fixed concentrations MS:MS_COMMENTS to ensure injection and chromatographic consistency. One aliquot was analyzed MS:MS_COMMENTS using acidic positive ion conditions, chromatographically optimized for more MS:MS_COMMENTS hydrophilic compounds. In this method, the extract was gradient eluted from a MS:MS_COMMENTS C18 column (Waters UPLC BEH C18-2.1x100 mm, 1.7 µm) using water and methanol, MS:MS_COMMENTS containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA). MS:MS_COMMENTS Another aliquot was also analyzed using acidic positive ion conditions; however MS:MS_COMMENTS it was chromatographically optimized for more hydrophobic compounds. In this MS:MS_COMMENTS method, the extract was gradient eluted from the same aforementioned C18 column MS:MS_COMMENTS using methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA and was operated at MS:MS_COMMENTS an overall higher organic content. Another aliquot was analyzed using basic MS:MS_COMMENTS negative ion optimized conditions using a separate dedicated C18 column. The MS:MS_COMMENTS basic extracts were gradient eluted from the column using methanol and water, MS:MS_COMMENTS however with 6.5mM Ammonium Bicarbonate at pH 8. The fourth aliquot was analyzed MS:MS_COMMENTS via negative ionization following elution from a HILIC column (Waters UPLC BEH MS:MS_COMMENTS Amide 2.1x150 mm, 1.7 µm) using a gradient consisting of water and acetonitrile MS:MS_COMMENTS with 10mM Ammonium Formate, pH 10.8. The MS analysis alternated between MS and MS:MS_COMMENTS data-dependent MSn scans using dynamic exclusion. The scan range varied slightly MS:MS_COMMENTS between methods but covered 70-1000 m/z. MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized AUC MS_METABOLITE_DATA_START Samples KO_CD40_24hr_1 KO_CD40_24hr_2 KO_CD40_24hr_3 KO_CD40_24hr_4 KO_CD40_48hr_1 KO_CD40_48hr_2 KO_CD40_48hr_3 KO_CD40_48hr_4 KO_0hr_1 KO_0hr_2 KO_0hr_3 KO_0hr_4 KO_LPS_24hr_1 KO_LPS_24hr_2 KO_LPS_24hr_3 KO_LPS_24hr_4 KO_LPS_48hr_1 KO_LPS_48hr_2 KO_LPS_48hr_3 KO_LPS_48hr_4 WT_CD40_24hr_1 WT_CD40_24hr_2 WT_CD40_24hr_3 WT_CD40_24hr_4 WT_CD40_48hr_1 WT_CD40_48hr_2 WT_CD40_48hr_3 WT_CD40_48hr_4 WT_0hr_1 WT_0hr_2 WT_0hr_3 WT_0hr_4 WT_LPS_24hr_1 WT_LPS_24hr_2 WT_LPS_24hr_3 WT_LPS_24hr_4 WT_LPS_48hr_1 WT_LPS_48hr_2 WT_LPS_48hr_3 WT_LPS_48hr_4 Factors Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:SCAP KO | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:24hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Genotype:SCAP KO | TREATMENT:LPS | TIME_POINT:48hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:24hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:WT | TREATMENT:anti-CD40 | TIME_POINT:48hr Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:WT | TREATMENT:Freshly isolated (No treatment) | TIME_POINT:0hr Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Genotype:WT | TREATMENT:LPS | TIME_POINT:24hr Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr Genotype:WT | TREATMENT:LPS | TIME_POINT:48hr 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)* 0.5936 0.8552 0.5392 0.6289 0.9883 1.5664 1.4518 1.6833 0.9634 0.5815 0.8983 0.6128 0.7771 0.6663 1.0000 0.8729 4.1740 3.3314 2.4405 3.5876 0.8746 0.6322 0.4604 0.7069 2.4631 2.3721 1.9158 1.9255 0.3751 0.8836 0.5502 1.1727 1.3349 1.0626 1.2028 1.0061 1.2838 3.0478 4.2237 2.6341 1-(1-enyl-oleoyl)-GPE (P-18:1)* 0.2028 0.2028 0.2028 0.2028 0.3283 0.5112 0.5411 0.3536 0.2028 0.2028 0.2028 0.2028 0.6673 0.6118 1.4455 0.9404 1.4517 0.9735 0.9175 1.1064 0.5328 0.5127 0.2028 0.3396 1.7243 1.9255 1.3247 1.4099 0.2028 0.2028 0.2028 0.2028 1.6992 1.6449 1.3988 1.0265 0.5362 1.4917 1.9763 1.2163 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 0.9231 1.2488 0.8103 0.9530 1.1960 1.6831 1.5526 1.6943 1.4505 0.8222 1.1303 0.9308 0.7912 0.7102 1.1616 1.0511 2.1241 2.4031 1.5673 2.1883 1.0843 0.7973 1.1822 0.8670 1.2310 1.1511 1.1178 1.0377 0.9488 1.2927 0.9654 1.7819 1.0138 0.8042 0.9135 0.8079 0.3860 0.9848 1.2257 0.9318 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 0.8133 1.2227 0.7435 0.9722 1.3614 2.1844 1.8982 2.0644 1.3833 0.7352 1.0651 0.9831 0.7258 0.6755 1.0356 1.0000 3.3291 3.4963 2.5625 3.3169 1.0226 0.8560 0.9840 0.8230 1.8330 1.8093 1.4612 1.5360 0.8535 1.2739 0.7217 1.4194 1.0137 0.8114 0.8397 0.7926 1.0037 2.2396 2.9246 2.1469 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.5207 0.8421 0.9233 0.5207 0.5207 0.5207 0.5207 0.5207 1.2062 0.5207 0.7529 0.7542 0.5207 0.5207 0.5207 0.5207 1.0465 1.1680 1.0000 0.7082 0.5207 1.4462 1.9202 1.1483 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 0.6570 0.9284 0.5027 0.6983 1.1720 1.8014 1.4995 1.9052 0.7858 0.4829 0.6552 0.4981 0.7072 0.6027 0.8451 0.8584 4.4905 3.6278 2.3476 3.5156 0.9785 0.7751 1.1045 0.8353 1.9990 1.8863 1.8020 1.5429 0.4195 0.6670 0.3391 0.6928 1.4360 1.1213 1.3873 1.1144 1.2936 3.2263 4.4779 2.7403 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7745 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.7410 0.8429 1.1503 0.7410 0.8497 2.3121 3.3125 1.5002 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 0.1198 0.1198 0.4535 0.4207 0.2835 0.4966 0.7773 0.7674 0.1198 0.1198 0.2778 0.2150 1.0700 0.8879 1.4666 1.2571 2.3449 2.2268 1.8678 2.2125 1.0265 0.8022 0.9192 0.7789 1.2360 1.1047 1.1224 1.0674 0.2418 0.1198 0.2127 0.3410 1.6498 1.2655 1.3737 1.1667 0.5456 1.3778 2.0242 0.9735 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 0.3752 0.4295 0.3696 0.5060 0.8138 1.1812 1.2220 1.2443 0.3164 0.2927 0.3778 0.2493 0.8717 0.6852 1.4722 1.1283 2.0768 1.8657 1.4104 1.7989 0.7898 0.5511 0.3760 0.4764 1.6377 1.6002 1.2044 1.1568 0.3739 0.4546 0.2798 0.5119 2.0778 1.6013 1.5554 1.4362 0.7834 1.9399 2.5958 1.7726 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 0.8461 1.1922 0.7047 0.8587 0.8501 1.2965 1.2046 1.3857 1.4312 0.7726 1.3555 1.0549 0.7494 0.6450 1.1292 0.9916 1.5055 1.6121 1.1689 1.5520 0.9341 0.7440 1.2183 0.8347 1.1959 1.0108 1.0126 1.0106 0.9342 1.2511 1.2524 2.1909 1.0085 0.7665 0.8913 0.8683 0.4270 1.1694 1.3564 1.1577 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 0.2393 0.0682 0.1495 0.1663 1.0000 1.5245 1.3569 1.7835 0.1523 0.2228 0.5165 0.2049 0.5742 0.4111 0.7175 0.6740 6.0403 3.9358 3.3353 5.0721 0.5077 0.3423 0.3337 0.2792 2.9789 2.8011 2.3269 2.3203 0.0682 0.1818 0.0936 0.2008 1.9476 1.6101 1.7253 1.3920 2.9675 7.0269 10.7725 6.0242 1-(1-enyl-stearoyl)-GPE (P-18:0)* 0.2352 0.2352 0.2352 0.4600 0.3864 0.6134 0.8997 0.7524 0.2352 0.5179 0.5572 0.3912 0.7931 0.6824 1.6288 1.2482 1.3529 1.2402 1.1003 1.2705 0.6418 0.4164 0.2352 0.3670 1.6430 1.6667 1.2756 1.2881 0.4950 0.4621 0.5998 0.8575 2.3765 1.6497 1.8313 1.6274 1.1621 2.6800 3.3321 2.7973 1_2-dilinolenoyl-GPC (18:3/18:3)* 0.2002 0.2002 1.1619 1.6041 0.2002 0.2002 1.1077 1.3176 0.2002 0.2002 0.5127 0.7276 0.8068 0.6084 1.5156 1.0958 1.1716 0.2002 0.7770 1.4100 0.2002 1.1862 1.3825 0.8512 0.9468 1.0418 0.6817 0.8627 0.2002 1.2556 0.2002 0.2002 1.0951 1.0000 1.0648 0.6843 0.2002 0.5795 0.8815 0.6777 1_2-dilinoleoyl-GPC (18:2/18:2) 1.2447 1.7480 1.0369 1.2894 0.4536 0.6250 0.5307 0.5588 3.9640 2.7306 3.0968 3.1784 0.7758 0.7074 1.0985 1.1719 0.7298 0.6132 0.5196 0.7196 0.9631 0.9069 1.4343 0.9121 0.4918 0.4634 0.4376 0.4471 2.5088 4.0867 2.3529 5.0032 0.5920 0.6087 0.7470 0.5338 0.0553 0.2435 0.3289 0.1836 1_2-dilinoleoyl-GPE (18:2/18:2)* 1.5635 2.4392 1.5192 2.3128 1.0073 1.4190 1.2052 1.3468 1.2722 0.9360 1.0464 1.1459 1.0275 0.7490 1.1897 1.2384 0.7161 0.9927 0.6908 0.8319 1.3456 1.4645 0.9545 1.2189 0.7171 1.2824 1.0502 0.6584 0.6829 1.3342 0.7657 1.6889 0.7004 0.9783 0.6120 0.6173 0.1300 0.2113 0.3870 0.1631 1_2-dioleoyl-GPC (18:1/18:1) 0.5513 0.5898 0.3216 0.4879 1.0124 1.3875 0.7810 1.2950 0.2424 0.2424 0.2424 0.2424 0.3251 0.3184 0.4367 0.4987 1.6091 1.6920 0.6754 1.1238 1.1184 0.7083 1.0268 0.8515 2.6572 2.7241 2.1071 1.6459 0.2424 0.2424 0.2424 0.2424 1.1768 0.8101 1.1166 0.8847 0.9876 1.7725 2.7270 2.2119 1_2-dioleoyl-GPE (18:1/18:1) 0.6737 0.1809 0.1809 0.6978 1.0091 0.1809 0.9576 0.1809 0.1809 0.1809 0.1809 0.1809 0.5327 0.3138 0.7830 0.6614 1.7799 1.2888 0.7157 1.1419 1.3381 1.0630 1.0659 0.9594 3.6164 4.0217 2.5438 3.1106 0.1809 0.1809 0.1809 0.1809 1.2949 1.0000 1.2894 0.8324 0.6829 2.0290 2.3647 1.8343 1_2-dipalmitoyl-GPC (16:0/16:0) 1.4375 2.0804 1.1803 1.6032 1.0691 1.6576 1.3895 1.4006 1.4388 0.8150 1.1457 0.9451 1.2921 1.1604 1.6817 1.5821 1.4915 1.8878 1.3018 1.4776 1.2595 1.0984 1.4694 1.0579 0.9330 1.0150 0.8803 0.8553 0.7892 1.1912 0.7975 1.5868 0.8599 0.7047 0.8478 0.7270 0.1703 0.4704 0.5702 0.4504 1_2-dipalmitoyl-GPE (16:0/16:0)* 3.3269 4.9090 2.6152 3.4377 1.5470 2.6266 2.1103 2.0984 1.0000 0.6649 0.9538 0.7673 3.5845 2.8410 4.3800 4.0158 2.6383 3.4725 2.4125 2.6600 1.7020 1.7996 2.6736 1.6236 0.8947 0.9316 0.7851 0.7869 0.5323 0.8363 0.5778 1.0807 1.1793 0.9369 1.1553 0.8849 0.1621 0.4408 0.6079 0.4169 1_2-distearoyl-GPC (18:0/18:0) 0.5653 0.1993 0.5644 0.7149 0.1993 0.3514 0.9301 0.3998 0.1993 0.1993 0.2834 0.1993 1.0000 1.0611 1.7480 1.7188 1.0973 1.3892 1.3193 1.7719 0.5486 0.6981 0.8662 0.4778 0.9823 1.0042 0.7413 0.8287 0.1993 0.1993 0.2961 0.1993 1.9226 1.4870 1.5003 1.4466 1.0379 2.4575 3.4117 2.3384 1-carboxyethylisoleucine 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.1406 0.3951 1.0000 1.2991 1.0613 1-lignoceroyl-GPC (24:0) 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.7294 0.8507 0.7294 2.1025 1.1493 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1.2012 1.6159 1.0847 1.2651 0.2705 0.3954 0.3115 0.3492 4.3189 2.7025 3.3909 2.8006 0.9153 0.8152 1.1374 1.1604 0.4999 0.5516 0.4883 0.5858 0.8388 0.7558 1.3356 0.7630 0.2303 0.2339 0.2597 0.2287 2.5176 3.8507 2.7078 5.3151 0.5789 0.4994 0.7255 0.5236 0.0472 0.1119 0.1233 0.1045 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 2.1024 2.7132 1.6740 2.2730 0.8758 1.2479 1.1223 1.0438 1.5597 1.0052 1.2593 1.1319 1.4950 1.2934 2.1682 1.8705 1.1300 1.3785 0.8545 1.1659 1.6065 1.4935 1.7008 1.3409 0.7697 0.8302 0.7709 0.7461 0.8333 1.4609 0.8818 1.7761 0.8782 0.8008 1.0000 0.8044 0.0793 0.2439 0.3063 0.1643 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7783 1.2239 1.0000 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 1.0524 0.9226 0.7093 1.6508 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 0.7093 1-linoleoyl-GPC (18:2) 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.3657 0.4073 0.5773 0.1872 0.3947 0.1872 0.1872 1.0021 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.1872 0.6862 1.0965 1.2322 1.0000 0.6418 0.8044 1.0000 0.4587 0.1872 0.1872 0.1872 0.1872 1-linoleoyl-GPE (18:2)* 0.4881 0.1151 1.4226 0.5008 0.5054 0.8716 0.7059 1.0580 0.1151 0.2772 0.2796 0.1151 1.3367 1.4048 2.5250 1.9300 1.0764 0.1151 0.6982 0.9420 0.7175 1.2000 0.1151 0.5360 1.3501 1.5649 0.9093 1.1801 0.1151 0.1151 0.1151 0.1151 1.9009 1.7612 2.3936 1.7267 0.4789 0.9284 1.2520 0.8338 1-methyl-4-imidazoleacetate 0.3672 1.9808 0.3672 0.3672 0.3672 0.3672 0.3672 0.3672 0.3672 0.3672 0.3672 0.7667 0.9544 0.7518 0.3672 0.3672 0.3672 2.1444 0.3672 0.3672 0.3672 1.0456 2.9667 0.9247 0.3672 0.3672 0.3672 0.7324 0.3672 0.3672 0.3672 0.3672 1.4863 0.3672 0.7312 1.1409 0.3858 0.8953 1.4218 0.3672 1-methyl-5-imidazoleacetate 1.6284 0.7091 0.8663 0.3475 0.3475 0.3475 0.6250 1.0226 0.3475 0.3475 0.3475 0.3475 1.0227 0.8740 0.7717 1.0868 0.3475 0.3475 0.3626 0.3475 1.0195 1.1318 1.8347 0.9093 0.9648 1.0000 1.0138 0.7325 0.3475 0.3475 0.3475 0.3475 1.2084 0.9263 0.8918 1.1632 0.3475 1.0192 1.5526 0.8947 1-methylnicotinamide 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 1.4245 0.6844 0.7701 1.0000 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.8005 1.3965 0.7708 1.7548 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 0.0660 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1.1343 1.6631 1.0499 1.3140 0.5822 0.7683 0.7821 0.9784 1.9028 1.0143 1.5343 1.0512 0.8395 0.6932 1.0396 0.9854 1.1163 1.1237 0.8198 1.1132 1.0650 0.9294 1.9866 1.0797 0.7089 0.9825 0.6410 0.7704 1.1336 1.8404 0.9299 2.0585 0.7277 0.8107 0.8043 0.6948 0.2507 0.6968 0.7438 0.5878 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 1.2958 1.6913 1.1509 1.5758 1.6359 2.2501 2.0571 2.1051 0.6308 0.3458 0.4670 0.3708 1.1729 0.8959 1.4462 1.3610 1.3957 1.3840 0.9608 1.2955 1.7157 1.4039 1.7430 1.3420 2.0362 2.1659 1.7451 1.7216 0.4447 0.5764 0.3216 0.6828 1.1271 0.9132 1.0392 0.8844 0.3386 0.9234 1.1623 0.8496 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 1.4373 1.8942 1.1017 1.6518 1.0250 1.3286 1.0938 1.1410 1.1144 0.6232 0.7897 0.6665 1.1595 0.9968 1.4246 1.4143 1.3512 1.5731 1.0297 1.2630 1.5832 1.2896 1.7800 1.3112 1.0600 1.0878 1.1306 1.0032 0.5188 0.8747 0.4849 1.0114 0.9444 0.8225 0.9773 0.8304 0.1396 0.3631 0.4834 0.3457 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 1.5332 1.9733 1.1817 1.7083 0.9869 1.5111 1.2238 1.3195 0.8511 0.2794 0.6474 0.4694 1.1286 0.9981 1.4505 1.3060 1.7055 1.7677 1.3059 1.7756 1.3216 1.2156 1.4770 1.1726 1.0019 1.0098 0.8800 0.8514 0.4153 0.6053 0.3330 0.7705 0.7354 0.5702 0.8266 0.6694 0.1354 0.4200 0.5017 0.3267 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 1.3128 1.7043 1.0965 1.3059 0.7244 0.9267 1.0156 0.9764 1.1519 0.6191 1.0066 0.7192 1.1877 0.9934 1.5581 1.4522 1.3535 1.3007 0.8395 1.4512 1.3789 1.1691 1.9134 1.2502 0.6576 0.8128 0.6594 0.5589 0.6597 0.9651 0.6561 1.3029 1.0112 0.9874 1.2920 0.9240 0.1408 0.4089 0.5657 0.3433 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 1.5395 2.0137 1.2584 1.5102 0.7418 0.8951 0.9690 0.9424 1.6676 0.9866 1.2554 1.1338 1.1123 0.9117 1.4108 1.3114 0.9402 1.0860 0.7906 1.0134 1.4996 1.4417 1.9741 1.3742 0.7124 0.9004 0.8567 0.7272 0.9844 1.5363 0.8928 1.6173 0.8068 0.7846 0.9327 0.7148 0.0858 0.2635 0.3552 0.2454 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1.0010 1.5527 0.8677 1.1918 0.6614 1.0699 0.8347 0.9645 1.8877 1.2322 1.4850 1.3292 0.7423 0.7159 1.0548 0.9990 1.0558 1.1742 0.8595 1.1115 1.1111 0.9447 1.2874 1.0015 0.7295 0.8198 0.7037 0.6715 1.0297 1.6250 0.9658 1.9374 0.7088 0.6159 0.7857 0.5943 0.1716 0.3993 0.5258 0.3764 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 1.5554 2.7942 1.2739 1.8443 1.0952 2.0890 1.5184 2.4086 1.1125 0.5769 1.0176 0.5697 0.9730 1.0192 1.3197 1.2173 1.5241 1.8380 1.1315 1.6306 2.1304 1.5031 1.3328 1.6818 1.6112 2.4164 1.4979 1.3228 0.4076 0.6428 0.4322 0.9111 0.8641 0.9824 0.8572 0.8935 0.2097 0.7852 0.5492 0.6706 1-oleoylglycerol (18:1) 0.3057 0.8362 1.0402 0.3057 0.3057 0.8546 0.3057 0.7233 0.3057 0.3057 0.3060 0.3057 1.0000 0.6522 0.4135 1.8613 0.7982 0.6936 0.3057 1.6201 0.3057 0.3057 0.3057 0.5230 1.5446 2.5678 0.9228 1.2189 0.5271 0.3057 0.3057 0.3057 1.8417 1.7774 2.5564 1.0880 0.9906 2.7729 9.8333 2.4523 1-oleoyl-GPC (18:1) 0.5711 0.7437 0.7055 0.7252 0.6814 1.0000 0.8726 1.0092 0.3568 0.2486 0.3460 0.2299 1.0544 0.9045 1.4249 1.5096 1.9083 1.4426 1.1414 1.5964 1.4308 1.0027 0.8788 0.7901 2.0282 2.7305 1.4663 1.6600 0.3119 0.5791 0.4216 0.4318 2.5158 2.5444 2.7609 2.0155 0.8814 2.3494 3.2214 1.9423 1-oleoyl-GPE (18:1) 0.3609 0.4631 0.5252 0.6676 0.5204 0.7836 0.6515 0.7999 0.0781 0.0781 0.1667 0.0781 0.9642 0.7614 1.3742 1.1046 1.2604 1.4554 0.7849 1.1202 1.0358 0.7712 0.4072 0.5579 2.1954 2.5207 1.5055 1.5541 0.0781 0.0781 0.0781 0.0781 2.1312 1.9123 1.8010 1.4970 0.4386 1.2250 1.6202 1.0482 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 1.1548 1.5434 0.8839 1.1761 0.5749 0.8228 0.7301 0.7894 2.4020 1.4516 1.7680 1.5515 0.7806 0.6769 0.9671 0.9656 1.1417 0.9926 0.7465 0.9825 1.0493 1.0250 1.5998 1.0074 0.7576 0.8313 0.6560 0.7382 1.3716 2.1447 1.1993 2.5219 0.8492 0.7892 0.9210 0.7323 0.1866 0.4534 0.6201 0.4292 1-palmitoleoylglycerol (16:1)* 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.6317 0.9108 1.0892 0.6317 0.6317 0.6664 1.2366 1.2223 1-palmitoleoyl-GPC (16:1)* 0.3183 0.6207 0.4897 0.5374 0.3183 0.6987 0.5484 0.7910 0.3183 0.3183 0.3183 0.3183 0.6417 0.4876 0.8525 1.0000 1.7330 1.1085 0.9353 1.0066 1.2683 0.8101 0.4131 0.4874 1.5433 2.0492 1.1434 1.3511 0.3183 0.3183 0.3183 0.3183 1.9289 2.0003 2.0522 1.6107 0.5255 1.4879 2.2066 1.2255 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 0.8913 1.1400 0.8034 1.0768 0.6811 0.8682 0.9116 0.8759 2.2506 1.3556 1.9382 1.6529 0.8371 0.6158 1.1183 0.9560 1.0440 1.2241 0.9194 1.2071 0.7117 0.7053 1.2605 0.7742 0.4096 0.4380 0.4031 0.4082 1.6487 2.3391 1.7117 3.1649 0.5893 0.6146 0.7817 0.5905 0.1032 0.2746 0.3323 0.2673 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 1.3945 1.8150 1.1047 1.6315 1.2215 1.6541 1.4526 1.4533 1.1115 0.6485 0.8382 0.7174 1.2164 1.0248 1.5596 1.5184 1.4624 1.7144 1.2086 1.3873 1.3214 1.0930 1.4749 1.1103 0.9974 0.9983 1.0106 0.9534 0.5944 0.9070 0.5800 1.1813 1.1027 0.8968 1.0017 0.9006 0.1661 0.4348 0.5226 0.3985 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1.2350 1.4294 1.0856 1.4365 1.6601 2.4327 2.5522 2.5324 1.3065 0.3796 1.1936 0.8240 1.7494 1.4881 1.9139 1.8515 2.6395 3.3948 2.6265 2.6640 0.7375 0.7251 0.5158 0.7883 0.5133 0.9686 0.7011 0.6061 0.7005 1.0314 0.6490 1.3916 0.6949 0.7490 0.9229 0.7644 0.1752 0.4946 0.4546 0.4552 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 1.1926 1.4078 0.8273 1.4093 1.1083 1.3827 1.2462 1.2681 1.2789 0.8077 0.9595 0.8040 0.9769 0.8156 1.1701 1.3377 1.6599 1.8510 1.0527 1.5617 1.1986 0.9962 1.6791 0.8888 0.7504 0.7197 0.7969 0.7345 0.8586 1.3684 0.8013 1.8322 1.0080 0.7982 1.0038 0.8800 0.1804 0.4484 0.5896 0.4374 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 0.9751 1.2496 0.8667 1.0955 0.8573 1.1862 1.1730 1.2085 1.4245 0.7207 1.2309 0.9231 0.8881 0.7401 1.2020 1.1795 1.4946 1.5830 1.0673 1.6031 0.8948 0.7578 1.2214 0.7820 0.4821 0.5910 0.4833 0.4982 0.9108 1.3387 1.0564 1.9770 0.7267 0.7447 0.9969 0.7005 0.1301 0.3556 0.4464 0.3016 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 1.2011 1.5634 1.0684 1.3925 0.8184 1.0803 1.0106 1.0584 1.3315 0.7271 0.9723 0.8612 1.1001 0.8308 1.3136 1.2942 1.0651 1.1167 0.8268 1.0871 1.0907 0.9778 1.5323 1.0305 0.5208 0.6574 0.6130 0.5499 0.8176 1.2254 0.8015 1.5138 0.7850 0.7092 0.8442 0.6895 0.1039 0.2943 0.3626 0.2930 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 0.8650 1.2951 0.7838 1.1090 0.8531 1.3017 1.1285 1.2160 1.9209 1.2070 1.5689 1.4069 0.6848 0.6171 0.9809 0.9559 1.3126 1.4033 0.9940 1.2993 0.9688 0.8247 1.1706 0.8447 0.9178 0.9933 0.8353 0.8164 1.1882 1.8293 1.2227 2.5069 0.8410 0.7258 0.9166 0.7054 0.2761 0.6748 0.9648 0.6488 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 1.2522 1.8130 1.0850 1.5860 1.3348 2.0765 1.8631 1.8978 1.0047 0.6346 0.7775 0.6910 0.9406 0.8826 1.2139 1.1587 1.6502 1.9104 1.1380 1.6079 1.3205 1.1291 1.2895 1.0441 1.6692 1.8067 1.3686 1.4374 0.5123 0.8154 0.4986 0.9853 1.1289 0.9953 1.0491 0.9041 0.2867 0.8580 0.9748 0.7114 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 0.9432 1.2614 0.7112 1.0406 1.3133 1.8763 1.5647 1.7710 0.7703 0.4273 0.6123 0.4826 0.7926 0.6877 0.9820 0.9649 2.1155 2.0647 1.3051 1.7568 1.3184 1.0871 1.4635 1.0658 1.8431 1.9518 1.5498 1.5781 0.4260 0.6759 0.4334 0.8597 1.2950 1.0180 1.2381 1.0223 0.6767 1.7212 2.1896 1.6219 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0.9718 1.3105 0.7526 1.0511 1.2257 1.8138 1.5415 1.7261 0.4699 0.2580 0.3655 0.2913 0.9775 0.7643 1.1286 1.0920 2.0879 2.0713 1.3059 1.7384 1.1583 1.0225 1.2639 0.9380 1.8283 1.9788 1.4710 1.6140 0.2399 0.3832 0.2224 0.4467 1.3212 1.0512 1.1602 0.9700 0.4899 1.3861 1.7212 1.2084 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 0.7823 0.8717 0.6523 0.9629 1.1239 1.5673 1.3938 1.3776 0.1223 0.0546 0.3338 0.2218 0.8858 0.6812 1.1379 0.9522 1.6590 1.6247 0.7106 1.6364 1.1079 0.9803 1.1041 0.9515 1.3125 1.3852 1.0927 1.1782 0.2416 0.3516 0.1934 0.3901 1.3116 1.0500 1.1739 1.0197 0.4008 1.1072 1.5075 0.9663 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 0.9255 1.1484 0.6114 0.9115 0.9197 1.2375 0.9903 1.0304 0.8063 0.4929 0.6496 0.6027 0.7729 0.6448 1.0097 0.7865 2.4698 2.0532 1.3142 1.9501 1.7348 1.4185 1.6384 1.3182 4.1459 4.1885 3.0196 3.2358 0.4681 0.7732 0.4268 0.8591 2.0802 1.6998 1.7962 1.5311 1.5036 3.8650 5.4372 3.1645 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 0.8119 1.0665 0.6900 1.0159 1.4711 2.1203 1.8886 1.9668 0.5972 0.3602 0.4651 0.3897 0.8618 0.6521 0.9841 0.9677 2.4189 2.2409 1.3483 1.9534 1.4471 1.1793 1.3661 1.1458 2.3077 2.4713 1.9432 1.9773 0.3699 0.5418 0.3023 0.6400 1.5418 1.2598 1.4490 1.1841 0.6298 1.6227 2.1966 1.5078 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1.1805 1.6450 1.0906 1.3558 0.6913 1.1422 1.0804 1.0070 1.0094 0.5827 0.8447 0.7364 1.4067 1.2578 2.0487 1.6715 1.4321 1.7474 1.4231 1.5411 1.1254 0.9571 1.2995 0.9930 0.9438 1.0112 0.8121 0.8102 0.6419 0.8099 0.6181 1.1488 1.2024 0.9366 1.0394 0.9602 0.4092 1.1127 1.3903 1.0238 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 1.6450 2.2798 1.3915 1.8572 1.0843 1.6321 1.6469 1.6299 0.5264 0.4830 0.6269 0.5116 2.2560 1.8410 2.7669 2.5381 2.1423 2.4047 1.9753 2.1717 1.1016 0.9502 1.5706 1.0410 0.6853 0.6944 0.5304 0.5659 0.3097 0.4180 0.3399 0.6675 1.1206 0.8941 0.9590 0.8421 0.2383 0.6031 0.7882 0.5130 1-palmitoyl-GPC (16:0) 0.5523 0.8008 0.6240 0.8443 0.9805 1.5736 1.3015 1.4604 0.4748 0.2508 0.4182 0.2750 0.9397 0.8220 1.4061 1.2959 1.8216 1.6469 1.3226 1.6766 1.1501 0.7832 0.5921 0.6735 1.6916 1.9470 1.1486 1.5093 0.2921 0.5854 0.4509 0.5969 2.2701 2.1726 2.0564 1.5491 0.5604 1.5362 1.8891 1.2425 1-palmitoyl-GPE (16:0) 0.6612 0.9213 0.6140 0.9445 0.7061 1.1164 0.9515 1.0419 0.3440 0.1701 0.2881 0.1169 1.1016 0.9805 1.6326 1.4535 1.3603 1.3144 1.0152 1.1763 1.1496 0.6871 0.5575 0.6281 1.4700 1.8582 1.0000 1.1461 0.1596 0.2589 0.2099 0.3731 2.5291 2.1718 2.0874 1.8194 0.4091 1.2158 1.3569 1.1272 1-ribosyl-imidazoleacetate* 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 0.2866 4.1579 3.4339 1.7687 2.2713 0.2866 0.2866 0.3604 0.2866 0.2866 0.2866 0.2866 0.2866 0.4084 0.4577 0.2866 0.2866 0.6921 0.6071 0.4996 0.6542 3.8970 4.1771 1.7613 3.4170 0.5769 0.3365 0.2866 0.5120 0.4829 1.3079 1.3433 1.3791 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 0.9012 1.1509 0.8331 0.9766 0.4884 0.6673 0.7106 0.6566 3.3867 2.1358 2.9943 2.3230 0.7440 0.6584 1.2037 1.0234 1.0638 1.1659 0.9344 1.2671 0.7755 0.6775 1.2883 0.8076 0.3484 0.3334 0.3194 0.3162 2.4864 3.2329 2.6924 4.7058 0.6002 0.6558 0.8309 0.5614 0.1142 0.2798 0.3338 0.2818 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1.3205 1.7834 1.0859 1.4164 0.9151 1.3582 1.1389 1.2682 1.6975 0.9120 1.1753 1.0169 1.0169 0.8859 1.4078 1.3040 1.2126 1.5013 1.0191 1.2602 1.2119 0.9591 1.4508 1.0987 0.7699 0.8015 0.7870 0.7276 0.9324 1.3103 0.8924 1.7599 0.8619 0.6243 0.8262 0.7345 0.1435 0.3770 0.4773 0.3655 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 0.9397 1.1906 0.7708 1.0891 1.0372 1.4933 1.2719 1.4898 2.1492 0.7241 1.7504 1.2643 0.6954 0.6287 1.1085 1.0091 1.4443 1.9447 1.5731 1.9272 1.0183 0.8638 1.3615 0.9464 0.9931 0.9523 0.8762 0.9261 1.2457 1.8333 1.2954 2.6532 0.8369 0.5612 0.8274 0.6864 0.2429 0.6287 0.7501 0.5482 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 0.9554 1.2609 0.8385 0.8927 0.5234 0.7222 0.7663 0.7022 2.5900 1.3863 2.1674 1.8151 0.7119 0.6744 1.2863 0.9829 0.9444 1.2425 1.0054 1.0949 1.3689 1.0997 1.4967 1.1591 0.9006 1.0684 0.9998 0.8770 1.5252 2.0747 1.5937 3.1398 1.0133 0.8034 0.9515 0.8686 0.2241 0.6210 0.6517 0.5356 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 0.7651 0.9974 0.7138 1.0148 0.6883 0.9299 0.8889 0.8677 1.5100 0.8099 1.2839 1.0175 0.7769 0.6991 1.1958 1.0326 1.2366 1.4922 1.1005 1.4675 0.7826 0.5724 1.0666 0.7601 0.3895 0.3700 0.3509 0.3383 1.1743 1.5006 1.2524 2.2710 0.7414 0.7104 1.0026 0.6742 0.1361 0.3086 0.4085 0.3083 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 1.1435 1.5313 0.8843 1.1357 0.7914 1.1549 0.9430 1.1423 1.6310 0.8013 1.1680 0.9844 0.9697 0.7935 1.1457 1.1931 1.1348 1.2434 0.8855 1.0898 1.0085 0.8355 1.4741 0.9808 0.5379 0.5960 0.6445 0.5932 0.9685 1.3904 0.9915 2.0840 0.7278 0.6313 0.8578 0.6709 0.1144 0.2894 0.3738 0.3116 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 0.6622 1.1850 0.7095 1.0112 0.3759 0.6744 1.0000 0.6539 2.7377 1.5621 2.1835 1.9347 0.7446 0.6635 1.0712 1.0062 0.9995 0.8329 1.1195 1.2460 0.4532 0.6484 0.7901 0.5031 0.3759 0.3759 0.3759 0.5939 1.7614 2.4751 1.8490 3.4413 0.5787 0.6774 0.6329 0.5268 0.3759 0.6215 0.6787 0.3759 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 1.2141 2.2292 1.2320 1.5016 1.1482 2.4115 1.6804 2.2524 1.4906 0.9039 1.2779 1.0432 1.0138 0.9825 1.3320 1.3142 1.3777 1.9199 1.3081 1.5619 1.1280 1.0004 1.4158 0.9996 0.8849 0.8756 0.8901 0.7697 0.8086 1.2135 0.7923 1.5642 0.9584 0.8083 0.8030 0.7951 0.1712 0.4864 0.5563 0.3651 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 0.9659 1.4110 0.8176 1.0738 0.6065 0.9709 0.8137 0.8548 1.7319 0.9530 1.3445 1.1061 0.7159 0.7087 1.2260 1.0012 1.1003 1.4000 0.9988 1.1958 1.2818 1.0546 1.2591 1.0328 1.3964 1.4573 1.1555 1.2279 0.9190 1.3632 0.9005 1.8467 1.0640 0.8531 0.9319 0.9310 0.4039 1.0897 1.1928 0.8963 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 0.6476 0.8634 0.5904 0.7919 1.2927 1.9604 1.8993 1.9503 0.6838 0.3656 0.5807 0.4581 0.8414 0.7075 1.1876 1.0186 2.7164 2.5806 1.8475 2.4326 1.1127 0.9375 1.1732 0.9540 2.6849 2.7209 1.9082 2.1258 0.4340 0.6133 0.4462 0.7942 2.2406 1.7184 1.8120 1.6036 2.2818 5.9672 6.9843 5.1349 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 0.8423 1.2746 0.7298 1.0551 1.5259 2.4281 2.0392 2.2894 0.5678 0.3577 0.4936 0.4172 0.9867 0.8337 1.2512 1.2164 2.5822 2.6129 1.7456 2.4273 1.0133 0.8535 1.1410 0.8394 2.0381 2.0204 1.5296 1.7309 0.3016 0.4800 0.2883 0.6055 1.5372 1.2183 1.2562 1.0588 0.8216 2.2161 2.5042 1.9162 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 1.2103 0.9741 0.6241 1.0024 0.2475 0.7417 0.9671 1.0158 2.0573 0.9081 1.7973 1.3171 0.6824 0.6753 1.0554 1.1064 1.1030 1.3556 0.6632 0.2475 0.6993 1.1174 0.8856 0.9477 1.1605 1.2875 0.9976 1.0528 1.5040 2.2251 1.1601 2.6647 0.7833 0.6544 0.7296 0.7390 0.2475 1.0316 0.6195 0.9309 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 0.7681 1.0044 0.6503 0.8911 1.0087 1.3411 1.0846 1.2985 0.9534 0.5363 0.8607 0.6303 0.7509 0.5804 0.9956 0.9057 2.1081 2.0633 1.4253 1.9681 1.1448 0.9322 1.1072 0.8934 3.1429 3.1570 2.1882 2.4190 0.4978 0.8634 0.5520 1.1373 1.7347 1.4094 1.5101 1.3310 1.3843 3.3377 4.5541 2.8560 1-stearoyl-GPC (18:0) 0.4591 0.7301 0.5592 0.8198 0.5683 0.7179 0.7997 0.7783 1.1598 0.8865 0.8630 0.7368 0.8395 0.7522 1.5090 1.5520 1.1626 1.2834 1.2002 1.2018 0.8896 0.6472 0.6430 0.5341 0.8427 1.0592 0.6978 0.7914 0.9408 1.6340 1.6214 1.6463 2.2261 2.1489 2.2822 1.6434 0.5125 1.3578 1.6128 1.3675 1-stearoyl-GPE (18:0) 0.6818 0.9735 0.7798 1.0577 0.7018 1.0964 1.1161 0.9977 0.4822 0.3280 0.4312 0.3150 1.4908 1.2637 1.9857 1.7789 1.4964 1.5246 1.0953 1.4096 1.2115 0.7106 0.5941 0.6551 1.4132 1.8032 1.0000 1.1532 0.3494 0.4456 0.3102 0.6233 2.5391 2.1101 2.2137 1.8692 0.5077 1.3956 1.6042 1.3184 1-stearoyl-GPI (18:0) 0.3329 0.3329 1.5216 0.3329 0.3329 0.9811 1.1924 0.9040 0.3329 0.3329 0.7889 0.3818 0.3462 0.3329 0.3329 0.7266 1.0429 1.2329 0.3329 2.7863 0.6784 0.3329 0.3329 0.8532 0.3329 1.4452 1.0118 0.9882 0.9844 0.4090 0.3329 0.3329 0.9181 4.5411 4.6312 0.3329 1.8064 2.8458 4.3779 3.3549 2^-deoxyadenosine 0.2700 0.2700 0.7446 0.2700 0.2700 0.8743 1.2410 0.2700 0.2700 2.5577 4.5468 3.6520 0.6223 0.2700 0.2700 0.2700 0.2700 0.2700 1.0247 0.2700 1.0000 1.2697 0.9823 0.2700 0.2700 0.2700 0.3374 0.5398 2.8435 2.6137 5.0447 4.4811 1.1510 0.7896 0.7951 0.6085 0.2700 0.9630 1.5763 0.7310 2^-deoxyadenosine 3^-monophosphate 1.0000 0.5623 0.6060 0.7766 1.4009 2.1384 1.9272 1.4613 3.6371 4.3709 8.2114 6.9832 0.0203 0.0203 0.0687 0.0761 0.1666 0.2978 0.1552 0.2234 1.2816 1.2393 1.5048 1.2071 0.2666 0.2940 0.7197 0.7403 5.3857 4.4486 10.1795 9.3750 0.0203 0.0203 0.0203 0.0203 0.0203 0.0252 0.0203 0.0283 2^-deoxyadenosine 5^-monophosphate 0.3440 1.2688 0.8001 0.3440 0.5810 0.6994 0.6881 0.7367 0.5550 0.3523 0.7313 0.3440 1.5366 0.9898 1.8741 1.6706 2.1398 2.6797 1.5239 2.0331 0.9284 0.7446 0.3664 0.6786 1.0537 1.5079 0.9762 1.0000 0.3440 0.5477 0.6742 1.3249 1.4995 1.3986 1.8925 1.5686 0.6149 1.7712 2.1210 1.2683 2^-deoxycytidine 0.1343 0.3044 0.4072 0.1990 0.2808 0.4394 0.3512 0.5756 0.8488 0.8813 1.1530 0.8213 0.8184 0.7173 1.0110 1.5481 1.6588 1.3560 0.9835 1.5479 0.6580 0.3798 0.3929 0.4759 1.0487 1.4847 1.0655 1.4522 1.7821 0.9325 1.1809 2.6586 1.9670 2.1484 2.2441 1.6269 0.7812 2.2417 3.4462 1.9529 2^-deoxycytidine 5^-monophosphate 0.6331 0.6900 0.5064 0.5511 0.8795 1.4301 1.2066 1.1484 2.0735 2.4004 4.5921 3.4935 0.6081 0.4936 0.7439 0.8055 1.3144 1.4271 0.8164 1.1620 0.9964 0.9118 1.1787 0.9055 1.0886 1.0000 1.3278 1.1106 2.8407 2.4046 5.1599 4.9124 1.0925 0.5936 0.8492 1.0214 0.2757 0.6989 0.8891 0.6620 2^-deoxyguanosine 1.2447 1.1527 1.1210 1.0039 1.5571 2.1437 1.9964 1.8345 2.4833 2.6751 5.0567 4.1060 0.2016 0.2016 0.3196 0.5655 0.5300 0.9508 0.4144 0.9569 2.3005 1.7358 2.3931 1.7084 0.4111 0.6096 0.8620 0.9961 3.6525 3.3216 5.1294 6.6511 0.2713 0.2746 0.3361 0.2040 0.1556 0.6380 0.7164 0.5537 2^-deoxyinosine 0.8785 0.9518 1.0972 0.7235 1.0068 1.7363 1.7354 1.7173 2.4067 2.6023 5.2396 4.0552 0.2172 0.2391 0.3890 0.7319 0.5274 0.8635 0.3592 0.9932 2.1764 1.3370 1.8332 1.3426 0.3726 0.5605 0.7382 1.0097 3.7871 3.1202 5.9677 6.3158 0.3956 0.4162 0.5098 0.3325 0.2460 1.0206 1.1423 0.8612 2^-deoxyuridine 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 1.1554 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.1378 0.4330 0.1378 0.1378 0.1378 0.1378 0.1378 0.7746 0.8312 0.1378 0.1378 0.4313 0.8027 1.0000 2-hydroxyglutarate 0.2896 0.9909 0.2896 0.2896 0.4154 0.2896 0.2896 0.2896 0.2896 0.2896 0.4644 0.4395 0.9856 0.4971 1.3232 1.2674 1.3985 0.8624 1.2446 1.0091 0.2896 0.4844 0.2896 0.2896 0.4606 0.3055 0.5160 0.3267 0.8793 0.2896 0.5279 0.2896 3.0978 2.5475 2.2986 3.6480 0.2896 0.6832 1.0746 0.7884 2-methylbutyrylcarnitine (C5) 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 1.1581 0.9981 1.0000 1.1173 0.4640 0.2274 0.5285 0.5654 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 0.2274 1.2780 1.5531 0.5943 1.3285 0.7424 0.6881 0.8105 1.0854 0.2274 0.2274 0.2274 0.2274 2-oleoylglycerol (18:1) 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 1.0000 1.2530 0.3675 0.4110 0.3675 0.3675 0.3675 0.3675 0.3675 0.3675 0.7761 0.3675 0.8528 1.6707 3.8635 1.6811 2-O-methylascorbic acid 0.7901 1.3079 0.6900 0.6612 0.3261 0.2233 0.2255 0.2647 6.4765 3.2981 3.8129 3.8223 0.7354 0.7539 1.0592 1.0000 0.4071 0.3488 0.1989 0.2969 1.3566 1.4173 1.5250 1.2521 0.6767 0.7710 0.7160 0.6929 3.4684 6.2031 3.1329 6.4461 1.0921 1.1225 0.8813 1.1825 0.1355 0.4423 0.5242 0.4514 2-oxoarginine* 1.3188 2.2558 1.3949 1.2956 1.2084 1.5803 1.4944 1.4009 0.1067 0.1067 0.1067 0.1105 0.7370 0.5285 0.7284 0.9224 1.1823 1.6368 0.7396 1.1059 1.2732 1.0686 1.3563 0.9623 1.0179 1.2284 0.9731 0.9625 0.1067 0.1067 0.1067 0.1067 0.4592 0.3931 0.2847 0.2678 0.3384 0.9821 1.0980 0.7037 2-palmitoleoyl-GPC (16:1)* 0.3108 0.3108 0.3108 0.3108 0.3108 0.6473 0.5726 0.6784 0.3108 0.3108 0.3108 0.3108 0.3108 0.3108 0.5660 0.4824 1.3216 1.1467 0.6409 1.1591 0.3108 0.3423 0.3108 0.3108 1.0000 1.1037 0.8304 1.0455 0.3108 0.3108 0.3108 0.3108 1.0866 1.1333 1.4670 0.7669 0.6327 1.6236 2.2534 1.3700 3-(4-hydroxyphenyl)lactate 3.9110 5.8124 3.5451 3.9773 2.8688 3.8780 3.5126 3.3308 0.6846 0.2747 0.3711 0.3084 0.8386 0.7456 0.9759 0.9725 1.0104 1.6194 0.8688 0.8343 5.0373 4.0552 6.1563 4.4018 3.8075 3.4914 3.7718 3.1282 0.2909 0.4399 0.2449 0.4390 0.9896 0.7903 0.7105 0.7534 0.3568 0.8701 0.9222 0.8045 (3^-5^)-adenylyladenosine* 0.2204 1.9952 0.8858 0.2204 0.2204 0.2204 0.2204 0.2204 2.2238 0.8415 0.9741 0.2204 0.7841 0.6872 1.0150 1.3766 1.1737 2.0009 1.0000 2.1738 1.0296 0.2204 1.7251 1.2934 0.5681 0.9215 0.9656 0.9646 0.2204 0.2204 0.2204 1.9129 0.6576 0.9225 1.2181 1.0186 0.2204 0.6974 1.1484 0.9664 (3^-5^)-adenylylcytidine 0.1582 0.1582 0.1582 0.1582 0.1582 0.1582 0.1582 0.1582 0.1582 0.7457 1.2003 1.3428 0.1582 0.1582 1.0484 1.2112 0.1582 0.1582 0.1582 0.6708 0.1582 0.1582 0.1582 0.5480 0.1582 0.1582 0.1582 0.2999 0.1582 0.1582 0.1582 0.1582 0.1582 0.4851 1.2095 1.0000 0.1582 0.4522 1.1748 1.0205 (3^-5^)-adenylylguanosine* 0.5250 3.1519 1.2769 0.7328 0.4524 0.9982 0.7071 1.0018 5.8640 2.0550 2.6916 2.9351 0.5049 0.6270 1.2981 1.4866 1.4417 2.9530 2.3894 3.8724 1.0498 0.3479 2.7661 1.8027 0.3919 0.6818 0.8375 0.7285 2.2823 4.5535 1.8918 5.9204 0.2112 0.4127 0.7553 0.7801 0.1147 0.2942 0.8206 0.5731 (3^-5^)-adenylyluridine 0.3150 0.3150 0.9040 0.3150 0.3150 0.3150 0.3150 0.3150 1.3477 0.3150 1.0733 1.2971 0.6511 0.7912 1.4148 1.7302 0.3150 0.3150 0.6960 1.2414 0.9808 0.3150 0.9338 1.0192 0.4029 0.6552 0.3150 0.8545 0.3150 1.2017 0.3150 1.9273 0.5917 1.0409 1.4287 0.9574 0.3150 0.9210 1.6314 1.3164 3^-dephospho-CoA-glutathione* 0.3401 0.3401 0.5234 0.3401 0.3401 0.3401 0.3401 0.3401 1.0734 0.7557 1.2882 1.1700 0.8795 0.7824 1.2913 1.2969 0.3401 0.3401 0.3401 0.3401 0.9109 0.5083 0.5329 0.7467 0.4185 0.6407 0.4895 0.6914 1.0841 1.3939 0.7675 1.5197 2.2639 2.3247 2.2902 1.8851 0.3401 1.0641 1.0615 1.0000 3^-dephosphocoenzyme A 0.7237 0.4541 0.6371 0.6465 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.5030 0.5371 1.4551 1.1968 2.0051 1.7767 1.1921 0.4541 0.5029 0.7899 1.1829 0.8667 0.9939 0.6854 1.0061 1.3355 0.9817 1.3350 0.4541 0.6568 0.5243 0.9696 5.2548 3.9787 3.9603 4.3403 0.8088 2.4373 2.7847 2.7534 3-hydroxy-3-methylglutarate 0.9895 1.2338 0.8602 0.9037 0.3892 0.4774 0.4755 0.4088 2.9894 1.7544 1.8580 1.7080 0.6228 0.5842 1.0105 0.7559 0.4038 0.5604 0.2788 0.3349 1.3731 1.4100 1.6953 1.3209 0.8691 0.8258 0.8844 0.8347 2.7525 3.8021 2.3324 4.6560 1.1898 0.8722 0.8680 1.0596 0.3028 0.7595 0.8463 0.8581 3-methylcytidine 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 0.3180 1.1631 1.6433 0.8369 3-methylglutaconate 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 0.5625 1.0000 0.7493 0.5625 0.8536 0.5625 1.3831 2.1252 1.6053 3-phosphoglycerate 0.9390 2.8305 0.5375 1.1064 0.6070 0.5437 0.6401 0.3862 4.0455 2.0247 2.0380 2.2329 0.9084 0.7216 1.1151 0.9685 0.7407 0.3624 0.3834 0.4168 1.2390 1.0315 0.9391 0.6424 1.0887 1.3516 0.9092 0.6295 1.4199 3.2853 1.7325 4.4119 0.8350 0.5930 0.6986 0.8500 0.1460 0.2308 0.4617 0.3739 3-ureidopropionate 0.0527 0.0527 0.0527 0.1358 0.0527 0.1814 0.0527 0.0527 2.6429 1.0000 1.1745 0.9748 0.0527 0.0527 0.0527 0.0527 0.0527 0.0527 0.0527 0.0527 0.0527 0.1501 0.1991 0.0527 0.0527 0.0527 0.0527 0.0674 1.8072 1.1674 1.1996 2.4520 0.1135 0.1381 0.0527 0.0527 0.0527 0.1117 0.0527 0.1291 4-acetamidobenzoate 1.8845 2.6247 0.9395 1.5898 0.8960 0.6857 0.6195 0.5552 0.4245 0.2324 0.4434 0.3236 1.3337 1.0167 0.9158 1.5659 0.8139 0.9833 0.5500 0.7875 2.3617 2.0078 3.6232 1.6694 0.7054 0.7463 0.5879 0.4608 0.3493 0.3830 0.3266 0.4348 2.0846 1.5492 2.0822 1.5149 0.2788 0.8248 1.0845 0.8161 4-acetamidobutanoate 1.1004 1.8118 0.8923 0.9375 1.2223 1.0056 0.9343 0.5459 1.1675 0.6090 0.7839 0.5439 0.7913 0.6145 1.0390 0.9211 0.9988 1.0942 1.0194 0.9038 1.1838 0.8555 1.3126 0.9819 0.8784 1.0012 0.8657 0.6111 0.1369 0.7999 0.5063 1.3523 1.0847 0.8760 0.9086 1.0283 0.2585 0.9409 1.0428 0.8538 4-guanidinobutanoate 0.3575 1.3135 0.5701 0.3575 0.7789 0.3575 0.4927 0.3575 0.3575 0.3575 0.3575 0.3575 0.3776 0.3575 0.5907 0.8335 0.3575 0.3575 0.3575 0.3575 0.7135 1.0000 0.5258 0.5141 1.3498 1.4620 1.0589 1.3573 0.3575 0.3575 0.3575 0.3575 1.0713 1.1154 0.3575 1.1979 0.8247 2.2436 2.9182 2.3422 4-hydroxy-nonenal-glutathione 0.1329 1.2918 0.6494 1.1137 0.9621 1.6458 1.0742 1.3383 0.1329 0.1329 1.1300 1.2441 0.6032 0.4769 0.6568 0.1329 1.3506 1.1861 1.1059 1.8706 0.5875 0.9520 1.1279 0.8755 0.6891 0.6652 0.8270 0.6372 1.0792 1.5387 1.0379 1.9764 0.1329 0.1329 0.1329 0.4968 0.1329 0.1329 0.6144 0.4139 4-hydroxyphenylpyruvate 0.2151 0.2151 0.9326 0.2151 0.2151 2.1969 1.0116 1.0026 1.3786 0.2151 0.9587 1.3924 1.0075 0.7158 1.1456 1.0567 0.8322 1.3103 0.2151 0.8057 1.1658 0.8222 0.2151 0.8561 1.1904 1.3989 1.1304 1.1518 1.3767 1.4062 0.2151 0.9915 0.9497 0.9529 0.4234 0.4488 0.2151 0.7639 0.9974 0.5686 5_6-dihydrouridine 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 2.8633 1.5276 2.1605 2.1480 0.1926 0.1926 1.0000 0.8719 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.1926 0.6612 0.5060 0.7342 2.2669 2.7509 1.6379 3.5175 0.3464 0.6581 1.0093 0.6347 0.1926 0.8692 1.0010 0.7163 5-aminovalerate 4.6472 1.6292 3.0421 0.7777 0.3357 0.3357 1.3586 0.3357 0.3357 0.3357 0.3997 0.3357 1.6398 0.5746 0.6227 0.7637 0.3357 0.3357 0.3357 0.3357 2.5318 1.4690 2.8265 1.1824 1.1425 1.0000 1.0685 0.7926 0.3357 0.3357 0.3357 0.3357 1.1063 1.0102 0.7772 0.8589 0.3767 0.4048 0.7661 0.8832 5-(galactosylhydroxy)-L-lysine 1.0874 2.1100 1.2128 1.1616 0.2109 0.2109 0.6192 0.6507 6.8299 4.1622 4.9055 6.1216 0.9377 0.7328 1.1014 1.0623 0.2109 0.2109 0.2109 0.2109 0.5515 0.5160 0.8394 0.6158 0.2373 0.4666 0.4190 0.3825 4.2532 5.8418 3.8316 6.6912 0.3706 0.2519 0.2109 0.4579 0.2109 0.2561 0.3217 0.2109 5-methylcytidine 0.3518 0.3518 0.6664 0.3518 0.3518 0.3518 0.3518 0.3518 1.4882 0.3518 0.7303 0.3518 1.2417 0.9009 1.2354 1.1345 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.3518 0.5072 0.5166 0.3518 0.8097 1.5427 1.3310 0.3518 0.8198 0.6206 1.4781 1.8667 0.6962 0.3518 1.4052 1.7102 1.0000 5-methylthioadenosine (MTA) 1.1298 1.3844 0.9189 1.1750 0.4630 0.6166 0.6301 0.6497 0.6857 0.4355 0.4776 0.4124 2.4294 1.9073 2.6358 3.2046 1.0966 1.0968 0.8277 0.9753 1.2092 1.1769 1.0995 0.9401 0.8374 0.8522 0.8400 0.7704 0.5068 0.6034 0.3692 0.6465 1.9242 1.4400 1.5541 1.5103 0.4447 1.3291 1.4869 1.3046 5-oxoproline 0.9046 1.4157 0.9242 0.8775 1.2609 1.2488 1.0848 1.1004 0.3372 0.1539 0.1983 0.1963 0.8559 0.7238 1.1820 1.1750 1.0200 1.0017 0.6603 0.8383 1.0161 0.8744 1.0448 0.7372 1.2802 1.3833 1.1491 1.0611 0.2039 0.2901 0.1703 0.2830 1.5004 1.1160 1.2146 1.1006 0.3532 0.9983 1.3156 0.9685 acetylcarnitine (C2) 1.0322 1.5682 1.0015 0.8806 0.3475 0.4422 0.3879 0.3677 9.3811 4.1821 5.6484 5.1603 0.7159 0.6692 0.9985 0.7628 0.3907 0.5240 0.3121 0.2948 1.2743 1.2401 1.5725 1.1348 0.6277 0.6948 0.6014 0.5924 5.6383 10.2436 6.5873 12.4619 0.8677 0.6933 0.7655 0.9185 0.1735 0.4157 0.4728 0.4414 acetylphosphate 0.6944 1.1729 0.9902 1.1069 0.6481 0.9065 0.8400 0.9521 0.9823 1.3147 1.5674 1.9757 1.0801 0.6454 1.4325 1.4237 1.2165 1.2153 0.6792 1.0456 1.2355 1.0098 1.5650 0.8478 1.1788 0.8870 0.8568 0.8592 2.1523 1.6420 1.2102 0.0956 0.3997 0.1839 0.4521 0.3091 0.0956 0.0956 0.0956 0.1376 aconitate [cis or trans] 0.7430 1.4385 0.8289 0.7787 0.4779 0.7671 0.5288 0.5514 2.4253 0.8922 1.2790 1.3307 1.2432 1.0322 1.5121 1.3249 1.2885 1.3006 0.7337 1.0892 1.1553 0.9072 1.0875 0.9811 1.1298 1.1012 0.8931 0.8630 1.2055 1.9716 0.7761 2.0187 1.4274 1.2793 1.4930 1.2196 0.3852 1.1301 1.4141 0.9620 adenine 0.8533 1.1189 0.6473 0.7502 0.7480 0.9933 0.8110 0.9474 1.2695 0.7672 1.4378 0.9994 1.0347 0.7688 1.1219 1.3331 0.9520 1.4504 0.8071 1.0006 1.0927 0.7901 0.8780 0.6696 0.5126 0.6524 0.5471 0.4926 1.0120 1.4640 1.4038 2.1884 0.8576 2.5291 1.8604 0.8107 0.2067 0.8092 0.9787 0.6899 adenosine 0.6518 1.2043 0.7962 1.0000 0.4517 0.6271 0.8244 0.7808 1.5471 0.9290 1.3682 1.3124 1.5346 0.9738 1.9474 1.3355 1.7603 1.4605 1.3176 1.7090 0.8777 0.8348 1.3363 0.9169 1.0461 0.9663 0.9951 1.0645 0.8073 1.3021 1.0275 1.7335 1.7525 1.2086 1.6444 2.5502 0.5520 1.7421 2.3599 2.3607 adenosine 2^-monophosphate (2^-AMP) 0.8092 1.9175 1.7966 0.4355 0.8971 3.1389 0.9643 1.4429 1.2452 1.1041 1.7873 2.0648 0.3868 0.2242 0.2802 0.2242 0.6410 1.8449 0.3513 0.7650 1.5347 0.5199 1.0509 1.1276 0.7125 0.9214 0.6044 0.5061 1.9533 1.1313 1.0357 1.1254 0.2242 0.2242 0.2242 0.2242 0.2242 0.2242 0.2242 0.2242 adenosine 3^-monophosphate (3^-AMP) 0.1315 1.3507 1.4259 0.7472 0.1315 0.1315 0.7355 0.1315 1.5173 1.0444 1.1587 1.1935 0.6072 0.6540 1.6758 1.4668 0.1315 0.1315 0.6321 0.1315 0.8441 0.1315 1.2733 1.2196 0.6232 0.9727 0.7493 1.0000 0.6168 1.8374 0.9216 1.7149 0.1315 0.3712 1.2890 1.0081 0.1315 0.4194 1.0385 0.8623 adenosine 5^-diphosphoribose (ADP-ribose) 2.3414 1.1615 0.1164 2.3829 1.4541 0.8565 1.5330 1.3846 1.4656 1.0384 0.3602 0.2951 0.0350 0.0350 0.1317 0.0350 0.4412 0.2194 0.6483 0.2710 0.3573 2.6604 2.2126 0.4340 2.5941 0.6157 2.5012 1.2972 0.0350 1.0994 1.7335 2.1667 0.3199 0.0350 0.0350 0.5280 0.0350 0.0639 0.0350 0.4562 adenosine 5^-monophosphate (AMP) 1.0933 1.6720 0.8574 1.0230 0.8205 1.2000 0.8975 0.9489 1.9830 0.7518 0.8449 0.9054 1.1146 0.8547 0.9830 1.1383 1.1833 1.3924 0.7288 0.9019 1.1064 0.8479 1.3865 1.0170 1.0408 1.1338 0.9461 0.8662 0.7753 1.6946 0.8365 1.6198 0.7675 0.6490 0.8757 0.8047 0.2380 0.6591 0.8498 0.7299 adenylosuccinate 0.1405 0.1405 0.9240 0.6734 0.7437 1.5401 1.2607 1.8462 0.1405 1.5214 0.6608 0.5223 0.9524 0.8813 1.2993 1.7968 0.1405 0.1405 0.1405 0.1405 1.2805 1.2177 0.1405 1.3362 1.3759 1.0788 1.3061 1.0227 0.6715 0.1405 0.4789 0.1405 1.0315 0.5190 0.6645 0.9773 0.1405 0.1405 0.1405 0.2523 AICA ribonucleotide 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.6549 0.3967 0.1731 0.1731 0.1731 0.1731 0.1731 0.5261 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 0.1731 3.4990 3.5411 6.9204 5.4220 0.1731 1.0000 3.2331 0.2760 alanine 1.0512 1.5844 0.9344 0.9901 0.9503 1.1875 0.9633 1.1339 0.5435 0.3048 0.3835 0.4590 1.4924 1.1791 1.6208 1.8552 1.7455 1.7731 1.0122 1.4135 1.1533 0.8757 1.2496 0.9302 1.0204 1.0213 1.0099 0.9360 0.4282 0.4414 0.2818 0.5562 1.6372 1.2488 1.4970 1.3500 0.3400 0.9374 1.4442 0.8709 allantoin 0.9162 1.5070 0.8953 0.8243 0.6643 0.6804 0.8251 0.7376 2.7743 1.2186 1.6085 1.4155 0.9593 0.7155 1.1431 1.1004 1.0577 0.8228 0.5931 0.7856 0.8224 0.8759 1.1419 0.7535 0.9354 0.9218 0.9850 0.7951 1.8798 2.9365 1.2218 3.0525 1.0224 0.8053 1.0150 0.9290 0.2493 0.7969 0.9601 0.7306 alpha-ketoglutarate 0.8941 1.2142 0.8275 0.9096 0.7046 0.9032 0.7503 0.7379 1.0621 0.6660 0.7727 0.7597 1.4563 1.1678 1.7974 1.8725 1.4101 1.2925 0.7402 1.0433 1.1064 1.0059 1.2386 0.8876 0.9941 0.9568 0.9313 0.7977 0.8094 1.0567 0.6138 1.2774 2.0877 1.8066 1.9638 1.7951 0.3385 0.7974 1.2053 0.8507 alpha-tocopherol 1.3965 1.4525 0.7650 0.9774 0.8139 1.4047 1.1033 1.2134 1.8103 0.9616 1.1921 1.0681 0.8474 0.6441 0.9104 1.0226 1.1945 1.2006 0.7963 0.8830 0.8158 0.8551 1.2659 0.6868 0.6634 0.6727 0.5831 0.5412 0.9228 1.5037 1.1342 1.8118 0.5730 0.5706 0.9298 0.5116 0.1922 0.5710 0.7004 0.4347 arabitol/xylitol 0.2447 0.2447 0.5978 0.5786 0.2447 0.2447 0.3461 0.3195 2.1512 1.1693 1.2053 1.6355 0.6143 0.5431 0.7575 0.7056 0.2858 0.2447 0.2447 0.2873 1.3823 1.2270 1.3896 1.0000 1.4336 1.3920 1.3136 1.2168 1.3934 2.0820 0.7745 1.7987 1.0779 0.9171 0.8593 0.8231 0.2447 0.7370 0.8955 0.6357 arabonate/xylonate 0.2901 2.1449 0.9277 0.5615 1.0849 1.2227 0.3347 0.2901 2.9030 0.2901 1.9555 2.4472 0.2901 0.2901 1.0241 0.8546 0.2901 0.2901 0.2901 0.2901 1.0636 0.6321 0.9759 0.7295 0.2901 1.0417 0.2901 0.8609 1.3244 2.0635 1.5084 3.1454 0.7314 0.8523 1.0335 0.7580 0.2901 0.6355 0.4450 0.6186 arginine 1.0509 1.6653 0.9193 0.8527 0.7568 0.8293 0.6818 0.7508 1.0677 0.6565 0.9787 1.2487 0.8764 0.6728 0.9366 1.1467 0.9889 1.1930 0.6713 0.8961 1.1291 0.8605 1.2498 0.9369 0.9312 1.0928 0.9379 0.9503 1.1071 1.0218 0.6739 1.4673 0.9352 0.7842 0.7945 0.7545 0.3424 1.1225 1.5437 1.0111 argininosuccinate 1.8487 2.6208 0.5463 0.8219 1.3033 1.2104 0.7149 1.4755 0.1210 0.1210 0.1236 0.1210 0.9704 0.8626 1.0694 1.0951 0.8083 1.6000 1.6561 0.8255 1.1130 0.8112 0.8698 1.1317 1.1063 1.1606 1.2978 1.0000 0.1210 0.1210 0.1210 0.1210 1.1039 0.9141 0.8126 2.3763 0.2193 1.2670 0.8340 1.6191 ascorbate (Vitamin C) 0.7791 0.6679 0.8658 0.5938 0.0398 0.0712 0.0909 0.0576 22.1646 17.7394 13.7741 13.7450 1.0000 1.0200 2.0083 1.2800 0.1360 0.0398 0.0398 0.0398 2.9695 3.2678 2.2246 2.4631 0.5472 0.6183 0.5802 0.7502 14.3841 20.0245 10.3139 15.2469 2.6377 2.2089 1.6941 2.4239 0.1880 0.3885 0.3744 0.4394 asparagine 1.0695 1.5560 0.8228 0.9447 0.8533 1.0477 0.8042 1.0006 0.7498 0.3897 0.7603 0.6791 1.2580 0.9769 1.2979 1.5344 1.3797 1.4227 0.7835 1.1001 1.1488 0.8871 1.2861 0.9295 0.9762 0.9994 0.9649 0.9185 0.7678 0.6820 0.4486 1.0467 1.1914 0.9980 1.1210 1.1196 0.2214 0.7168 0.9329 0.7517 aspartate 0.5765 0.8392 0.4342 0.5268 0.3828 0.5411 0.3699 0.4592 2.2907 1.1141 1.3148 1.2540 1.3209 1.0336 1.3595 1.6537 1.3605 1.5690 0.7433 1.1144 0.6530 0.5143 0.7498 0.5540 0.4822 0.4648 0.4463 0.4324 1.1859 1.6365 0.9232 1.7553 0.9664 0.8095 1.1172 0.9417 0.1605 0.4704 0.6003 0.4681 behenoyl sphingomyelin (d18:1/22:0)* 1.0788 1.0896 0.9216 1.0236 0.8083 0.9552 1.1457 1.1379 1.5235 0.7592 1.2249 1.0270 0.7027 0.5128 1.0620 0.8605 1.2037 1.1686 0.9265 1.2189 1.1812 1.0376 1.8571 1.1817 1.2097 1.2233 1.1278 1.1773 0.8247 1.1571 1.0690 1.9869 0.8106 0.7504 0.9764 0.8291 0.2456 0.7008 0.8560 0.6650 benzoate 1.6878 1.2542 0.8965 1.0912 1.1448 1.3802 1.4012 1.3061 1.1141 0.5744 0.6469 0.7668 0.8229 0.5822 0.8662 0.9716 1.4413 1.3716 1.0443 1.0894 0.6759 0.7723 1.2651 0.6553 0.7723 0.5927 0.7570 0.4099 0.7537 1.1644 1.0284 1.4710 0.6480 0.3721 0.7281 0.4675 0.1468 0.4715 0.5267 0.3795 beta-alanine 0.7508 1.1275 0.7218 0.7208 0.8550 0.9614 0.7124 0.8587 1.0386 0.4524 0.5917 0.5189 0.7572 0.6697 0.8311 0.8968 1.3168 1.2391 0.6329 0.8675 1.7740 1.3398 1.8158 1.2958 2.8275 2.6047 2.3828 2.3755 0.5272 0.8867 0.4523 0.8625 1.8316 1.3715 1.5400 1.4587 1.1957 3.0370 3.8363 2.9767 betaine 0.7492 1.1536 0.6484 0.6591 0.4975 0.5638 0.4878 0.5102 3.0677 1.6291 1.9589 1.7724 0.7965 0.6541 0.8610 0.9395 0.9436 0.8416 0.5199 0.6880 1.2058 0.7927 1.0744 0.7665 0.6143 0.6189 0.5856 0.5430 1.8008 2.9466 1.2347 2.9176 1.2470 0.9878 1.1323 1.1013 0.2486 0.6730 1.0122 0.6438 butyrylcarnitine (C4) 0.5400 0.4447 0.4302 0.4313 0.1148 0.1148 0.1148 0.1148 0.1148 0.2838 0.1148 0.3350 1.7989 1.0000 1.8796 1.2469 0.6821 0.1148 0.1148 0.1511 1.0565 1.1403 1.9951 0.5825 0.8953 0.4335 0.6644 0.5736 0.1148 1.4682 1.2128 1.9666 3.2296 1.7134 3.4878 5.1576 0.2547 0.3845 0.8107 0.8808 carnitine 0.9704 1.5162 0.9271 0.8532 0.2638 0.3854 0.3673 0.3232 3.7397 2.4207 2.4673 2.2972 0.7473 0.7654 1.0672 1.0296 0.2805 0.3659 0.2057 0.2148 1.3664 1.0732 1.4174 1.0837 0.5612 0.5755 0.5095 0.4811 2.0639 2.9803 1.1609 2.3561 0.7134 0.6837 0.7098 0.6715 0.1262 0.3941 0.4117 0.3768 carnosine 1.1254 1.7659 0.9486 0.7777 1.1661 0.9606 0.9981 1.0333 0.9262 0.7640 1.0277 1.0905 0.7134 0.5730 0.9393 0.8233 0.8080 1.4314 0.8130 1.0049 0.9047 0.7049 1.4160 0.8504 1.0192 1.2285 0.9863 1.0019 0.7740 0.7622 1.4803 2.2633 0.7125 0.5290 0.6363 0.6819 0.2600 0.8446 1.0910 0.7924 ceramide (d16:1/24:1_ d18:1/22:1)* 0.2111 0.2111 1.4648 1.6658 0.5940 0.2111 2.6477 0.5827 0.2480 0.5228 0.2111 0.9305 2.1977 0.2111 2.0447 2.2731 6.4111 0.2111 1.0642 5.1873 0.2111 0.9648 0.2111 0.4497 0.2111 0.2111 1.1458 0.9996 0.5532 1.4487 0.2111 0.2111 1.0000 0.9199 0.2111 0.2111 0.3636 0.2111 1.2368 0.2111 ceramide (d18:1/14:0_ d16:1/16:0)* 0.3935 0.7579 0.7077 0.7471 0.7517 1.3809 1.4161 1.6870 0.3935 0.3935 0.3935 0.3935 1.2720 0.9879 1.4681 1.4923 4.2616 4.2524 3.5832 3.9506 0.7634 0.4805 0.7682 0.7227 1.0121 1.0461 0.7400 0.8670 0.3935 0.3935 0.3935 0.3935 0.9688 0.8847 1.0946 0.6400 0.4301 1.1498 1.6330 1.0737 ceramide (d18:1/17:0_ d17:1/18:0)* 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 1.1329 0.7374 1.0000 1.1864 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 0.0856 ceramide (d18:2/24:1_ d18:1/24:2)* 0.7054 0.4633 2.2002 2.2976 1.7265 1.1189 3.3982 0.5296 0.5008 1.2185 0.3086 1.8763 2.4153 0.3685 2.9496 3.0460 5.3149 0.9409 4.2851 6.4307 0.3753 1.3527 1.8877 0.2967 1.0000 0.2924 0.8991 1.1096 1.7372 2.9511 0.3377 0.4068 1.0327 1.0381 1.0294 0.2831 0.3606 0.2597 0.9643 0.2085 cholesterol 0.7484 0.9959 0.6829 0.8297 0.7144 0.8720 0.8530 0.8992 1.4183 1.0377 1.0665 1.0309 0.6637 0.5056 0.9903 0.7031 1.3036 1.0550 0.8556 1.1271 1.3251 1.0825 1.4816 1.0868 1.8011 1.8482 1.3598 1.4249 0.9417 1.2132 0.8288 1.6548 1.2368 1.0031 1.2491 0.9680 0.4632 1.2814 1.5865 0.9405 cholesterol sulfate 0.3097 1.3581 0.9819 0.8008 0.3097 0.3097 0.7274 0.3097 5.2946 2.8400 3.5188 3.5891 0.3097 0.5262 0.8266 1.2938 0.8747 0.3097 0.3097 0.8074 1.2711 1.2111 1.4877 0.9777 1.1787 1.0994 0.9241 1.0181 2.9894 3.6878 2.9093 5.1516 0.9276 0.7806 0.8056 0.9043 0.3097 0.5641 0.8706 0.6375 choline 0.4191 0.7595 0.5102 0.3930 0.5976 0.7211 0.6069 0.6940 1.5752 0.7250 1.0205 0.9589 0.9308 0.7955 1.1956 1.3335 1.0692 1.0587 0.6928 0.8956 0.7921 0.5724 0.7245 0.6364 0.9742 1.1313 1.0550 0.9795 1.1697 1.4185 0.8019 1.4016 2.0303 1.6482 2.0926 1.6092 0.3742 1.0639 1.3180 0.8574 choline phosphate 1.1437 1.5853 0.8370 0.9974 1.0356 1.3821 0.9645 1.1609 1.8299 0.8634 0.9449 0.9985 0.8130 0.6967 0.8398 1.0015 0.8923 0.9862 0.5468 0.6547 1.2562 0.9412 1.4303 0.9847 1.1456 1.2115 1.1780 0.9738 1.0255 1.5435 0.8802 1.6346 0.7282 0.5750 0.7184 0.6207 0.1274 0.3332 0.4237 0.3232 citrate 0.8459 1.3051 0.7394 0.8606 0.5258 0.7115 0.5630 0.5467 1.9349 0.9855 1.0723 1.1467 1.1681 1.0145 1.5467 1.2891 1.1829 1.1648 0.7868 0.9714 1.1085 0.9437 1.0841 0.9459 1.1761 1.0244 0.9370 0.8226 1.1909 1.7596 0.8966 1.7251 1.5520 1.1883 1.3290 1.2014 0.4181 1.0383 1.3221 1.0659 citrulline 0.7337 1.2690 0.6901 0.9176 0.8935 1.1789 0.7679 0.7799 3.4045 1.6130 1.7364 1.9149 0.8379 0.5974 0.9329 1.0082 1.0069 1.0688 0.7174 1.0518 1.0596 0.6762 0.9931 0.6383 0.6591 0.5578 0.7675 0.5457 2.1396 3.2935 1.5137 3.2729 0.8431 0.6454 0.6721 0.6480 0.2114 0.7238 0.9137 0.5643 CoA-glutathione* 1.2449 1.3915 0.6808 1.4376 0.5795 0.4747 0.8758 0.5094 1.7555 1.0539 0.6547 0.8055 1.0194 0.8288 1.3845 0.9930 0.6388 0.8104 0.5635 0.5004 1.3158 1.6797 1.4305 1.0714 1.0070 0.8961 0.8557 0.5725 0.4742 1.5921 0.6712 1.5662 1.4647 0.7022 1.0696 1.0834 0.1254 0.2020 0.2515 0.1624 coenzyme A 0.9772 0.1790 0.1790 1.0228 0.1790 0.1790 0.8971 0.1790 0.1790 0.1790 0.1790 0.1790 0.7672 0.6992 1.8685 1.0622 0.1790 0.1790 0.4076 0.1790 1.1140 1.1499 0.1790 0.6957 1.7473 1.3368 1.4512 0.8638 0.1790 0.1790 0.1790 0.1790 2.1383 0.7462 1.2465 1.5686 0.1790 0.5071 0.1790 0.3868 creatine 0.7096 1.0252 0.6634 0.5941 0.4428 0.4985 0.4912 0.5185 3.9456 1.8841 2.3448 2.1806 0.6058 0.5206 0.7954 0.7895 0.7187 0.7226 0.5168 0.6455 1.0602 0.8493 1.2027 0.8193 1.0679 0.9632 0.9748 0.9261 2.4719 3.4178 1.9577 3.7045 0.8626 0.6695 0.7439 0.7077 0.5154 1.3941 1.7905 1.3510 creatinine 1.0867 1.7412 0.9552 0.9036 0.9490 0.9550 0.8299 0.8860 0.6670 0.3365 0.4033 0.3764 0.9636 0.7860 1.1413 1.2575 1.2540 1.3134 0.8263 1.0335 2.8724 0.8971 1.4368 0.8802 1.0297 1.1050 0.9703 0.8717 0.3934 0.5906 0.3128 0.6264 1.3583 0.9462 1.1258 1.1580 0.3303 0.9578 1.3725 0.9277 cysteine 1.1946 1.7571 1.1717 1.3047 0.9240 1.4415 1.0679 1.3708 0.7646 0.4044 0.5258 0.6658 1.6581 1.2548 1.6436 2.0916 1.5199 1.5892 0.6600 1.1634 1.0648 0.8200 1.2568 0.7811 0.9225 1.0032 0.9850 0.9369 0.6086 0.6761 0.5869 0.9750 1.7174 1.3604 1.5412 1.2375 0.2889 0.7467 1.1422 0.6524 cysteine-glutathione disulfide 0.9132 1.4774 0.6762 0.8453 0.9563 1.0092 1.0059 0.8573 1.5396 1.1095 1.6031 1.8276 0.8181 0.6281 0.7754 1.0915 1.0566 1.4135 0.5260 1.0026 0.7370 0.5799 0.9974 0.4992 0.4418 0.4247 0.4453 0.3798 1.5322 1.4860 1.2173 2.1133 0.5224 0.4787 0.5788 0.4793 0.0839 0.2228 0.2998 0.1894 cysteine s-sulfate 0.1835 0.1835 0.2368 0.1835 0.1835 0.1835 0.1835 0.1835 1.5083 0.5010 0.6546 0.6447 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.5000 1.3987 0.5473 1.4833 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 0.1835 cysteinylglycine 0.5088 0.2112 0.9927 0.7810 0.2112 0.2112 0.7134 0.2112 0.2112 0.2498 0.2112 0.2112 0.8270 0.9839 1.2615 1.7435 1.0073 0.9683 0.2112 0.5707 1.0172 0.7709 1.4974 0.7914 1.3195 1.6393 1.4948 1.3245 0.2112 0.2112 0.2138 0.2112 1.5283 1.4311 1.8249 0.9844 0.3574 1.0848 1.6919 1.1228 cytidine 0.5681 1.4426 1.1735 0.6472 0.3078 0.8110 0.4328 0.6240 1.3095 0.4925 0.8471 0.8988 1.8282 1.6273 2.1854 2.6129 1.8535 1.5770 1.0094 1.5539 1.2355 0.8180 1.2959 1.1712 0.9906 1.2124 0.9237 1.0584 0.9892 1.2629 0.4663 1.1740 1.8130 1.7844 2.3254 1.7490 0.4949 1.2927 2.2636 1.2791 cytidine 5^-diphosphocholine 0.0626 0.0626 0.0626 0.0626 0.0626 0.1065 0.1596 0.2363 1.8911 0.8304 1.6555 1.3959 0.4063 0.5086 0.6360 0.9564 0.2960 0.2574 0.1131 0.1558 1.1434 0.0626 0.2073 0.0626 0.1620 1.1783 0.1663 0.0798 2.1034 1.5365 0.0626 0.4986 1.0000 1.7265 1.5149 0.5835 0.2187 1.2615 1.2142 0.3542 cytidine-5^-diphosphoethanolamine 0.9845 1.4772 0.8608 0.9387 0.6146 0.8506 0.6574 0.7064 1.2547 0.5049 0.7016 0.6894 0.8727 0.7557 1.0628 1.1715 0.8284 0.8929 0.5871 0.7247 1.5775 1.3557 1.7566 1.2622 1.0029 1.0825 0.9971 0.8821 0.7799 1.0792 0.5585 1.0885 1.1212 0.9520 1.0474 1.0241 0.2167 0.5271 0.6105 0.6133 cytidine 5^-monophosphate (5^-CMP) 1.4242 2.2116 0.8734 1.4344 0.9003 1.2750 0.9208 1.1031 1.6392 0.5036 0.5099 0.5561 1.1119 0.8151 1.2036 1.0741 1.4983 1.4759 0.8428 0.9872 1.0128 0.9721 1.6069 1.0294 0.9637 0.8281 1.0235 0.7283 0.4963 1.0939 0.5686 1.1941 0.8488 0.5401 0.6638 0.8778 0.1872 0.4115 0.5447 0.4916 cytosine 1.1019 0.2064 0.7527 0.5686 0.9429 0.9377 0.7821 0.4884 2.1600 1.2923 1.5567 1.5295 1.1398 0.7724 1.1111 1.2269 1.8738 1.3278 1.0000 0.8488 0.4020 0.5865 0.7908 0.2064 0.4821 0.3103 0.4202 0.4021 1.6776 1.8974 1.6507 1.9669 0.7821 0.6387 0.7553 0.6544 0.2072 0.5862 1.0236 0.6218 deoxycarnitine 0.9087 1.3444 0.7747 0.7404 0.4707 0.5722 0.5074 0.5348 3.5146 1.9800 2.1712 1.9061 0.7080 0.6026 0.9291 0.8768 0.7401 0.8326 0.4533 0.5311 1.3019 1.0794 1.4628 1.1487 1.0074 0.9926 0.9401 0.9144 2.1848 2.9866 1.8254 4.1672 0.9773 0.8519 0.8625 0.9673 0.3124 0.8209 1.0344 0.7769 dihydroorotate 1.0039 2.3717 1.8042 1.2431 0.0896 0.0632 0.0993 0.0479 0.0311 0.0311 0.0311 0.0311 0.6780 1.2038 2.2127 0.5597 0.0311 0.0311 0.0311 0.0311 2.0465 3.0023 2.0026 1.7657 0.9961 0.8822 0.5539 0.8324 0.0311 0.0311 0.0311 0.0311 20.2019 22.8945 21.1631 20.6893 0.0311 0.1032 0.1337 0.1114 dihydroxyacetone phosphate (DHAP) 1.3841 2.3843 1.2013 0.9014 1.0165 1.3177 0.7987 0.9967 0.3074 0.1425 0.3990 0.3687 2.5047 1.8420 2.8005 3.2121 1.6675 2.3608 0.9273 1.2271 2.0932 1.0033 1.9727 1.1844 0.8438 1.4599 0.9118 0.7704 0.4110 0.3745 0.1800 0.4449 1.4275 1.2935 1.8732 1.3308 0.2989 0.8873 1.1063 0.8466 dimethylarginine (SDMA + ADMA) 0.4959 1.1543 0.7716 0.5194 0.2299 0.3534 0.3310 0.4629 4.5321 2.4544 6.3198 6.6583 0.8316 0.7505 0.9061 1.6266 0.7506 0.8543 0.4398 0.8395 1.0077 0.8906 1.2594 1.0658 1.5271 1.7545 1.4110 2.5224 6.5919 4.9044 2.6486 7.3771 0.9923 1.5830 0.8800 0.8722 0.5994 2.0305 2.5678 2.4128 dimethylglycine 1.0208 1.6671 0.8146 0.2333 0.6373 0.6495 1.7700 0.2333 5.1959 2.3318 2.4367 2.3291 0.7936 0.5575 0.6811 0.8893 0.2333 0.2333 0.2333 0.8715 1.5272 0.6282 0.6950 0.2333 0.6644 0.5789 0.6963 0.9792 2.4804 3.9472 2.0885 4.7957 0.6985 0.5458 0.7542 0.7654 0.2333 0.6585 0.9598 0.5416 eicosenoate (20:1) 0.6405 1.1901 0.9772 0.4275 1.2783 1.5190 0.9624 1.5101 0.9138 0.2797 0.7447 0.6162 0.8198 0.4037 0.5684 0.8998 1.0003 1.3581 0.5294 1.2309 0.6315 0.6935 0.7459 1.0000 1.4630 2.4400 1.3169 1.4696 0.8640 0.6666 0.5367 0.9832 0.7314 0.9852 1.6394 0.7910 0.6852 2.0877 2.0450 1.4067 ergothioneine 0.5743 0.1044 0.6548 0.6139 0.1044 0.1044 0.1044 0.1044 11.7855 7.9911 9.5391 10.0352 0.7052 0.5258 1.0000 0.6749 0.1044 0.1044 0.1044 0.1044 1.0140 1.5059 0.9568 1.0003 0.4015 0.3717 0.1723 0.5167 9.8386 12.3736 8.5451 18.0682 1.1891 0.9773 0.6043 0.8532 0.1044 0.3469 0.2049 0.2831 erythritol 0.3172 2.2624 0.9015 0.8879 0.3172 0.3172 0.3172 0.3172 0.3172 0.3172 0.3172 0.3172 0.9894 0.9562 1.6475 1.3425 0.3172 0.3172 0.3172 0.3172 0.3172 1.2625 0.3172 0.8634 0.9839 1.0472 0.7998 1.2492 0.3172 0.3172 0.3172 0.3172 1.5089 0.9449 1.0624 1.3698 0.3172 0.9314 1.7210 1.0000 erythronate* 0.9398 1.3879 0.8427 0.8408 0.7555 0.9028 0.9030 0.8627 1.0844 0.4953 0.6089 0.6208 0.8533 0.8429 1.3459 1.0482 0.9639 0.9027 0.6893 0.7169 1.2432 1.1799 1.4585 1.1001 1.8726 1.7171 1.3923 1.4437 0.5400 0.9493 0.5222 1.0000 1.6226 1.3849 1.2265 1.4381 0.8108 1.9384 2.5753 1.9161 flavin adenine dinucleotide (FAD) 0.3684 0.3684 1.0516 1.0141 0.3684 1.4304 1.0206 0.3684 1.7080 0.9751 1.2317 0.3684 0.3684 0.8901 1.2349 0.3684 0.3684 0.3684 0.3684 0.3684 1.0429 0.9859 0.3684 0.8967 1.0753 1.2232 1.0839 0.6797 0.9578 0.3684 0.8431 0.3684 0.8791 0.6518 0.6948 0.8435 0.3684 1.0300 1.1449 0.9313 fructose 0.7419 1.6472 0.8802 0.6184 1.0457 0.5773 0.6016 0.6291 0.0332 0.0332 0.0735 0.3539 0.8931 0.8743 0.9337 1.7138 1.0864 1.0319 0.8032 0.9073 0.7246 0.4217 1.0386 0.5786 0.4811 0.7351 0.4781 0.3987 0.0332 0.0332 0.0332 0.0332 1.5870 1.4402 1.3793 1.3917 0.3523 1.1194 1.7256 1.0000 fructose 1_6-diphosphate/glucose 1_6-diphosphate/myo-inositol diphosphates 1.3912 1.4976 1.0024 1.1474 1.0547 1.1370 0.9195 1.1260 0.9976 0.5386 0.8339 0.9070 1.6929 1.2126 2.9026 1.7072 1.1918 1.1792 1.0913 0.7249 1.4897 0.9100 1.6681 1.0573 1.2939 1.3641 0.9708 0.8465 0.8477 0.9645 0.8185 1.5020 0.7553 0.3362 0.6137 0.6101 0.1777 0.5192 0.5496 0.3556 fructosyllysine 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 1.2876 0.8537 0.8751 1.4013 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.9686 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.9141 1.0314 2.1048 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 0.7594 fumarate 0.9655 1.8455 1.0200 1.0225 0.7099 1.1247 0.9938 1.0517 0.7069 0.2450 0.3164 0.2460 1.1277 1.0062 1.5931 1.3767 1.0839 1.1279 0.6364 0.8189 1.1655 1.0214 1.1068 0.8673 1.0570 1.2500 1.0590 0.9562 0.2825 0.5629 0.2009 0.4907 1.8267 1.5099 1.7730 1.6677 0.3658 1.0857 1.5261 0.9845 galactitol (dulcitol) 0.1676 0.1676 0.3215 0.3194 0.1676 0.1676 0.1676 0.1676 1.9604 1.0000 1.2100 1.1121 0.2962 0.1676 0.3921 0.1676 0.1676 0.1676 0.1676 0.1676 0.1676 0.4741 0.5302 0.1676 0.1676 0.1676 0.1676 0.1676 1.1059 1.6528 0.9369 1.7760 0.1676 0.2998 0.2837 0.1676 0.1676 0.1676 0.1676 0.1676 gamma-glutamylcysteine 1.0487 0.9161 0.4955 1.2443 1.0274 0.8360 1.0075 1.0662 0.0625 0.0625 0.1055 0.1023 1.2269 0.7529 1.4714 1.1958 1.4542 0.9925 0.6118 0.8249 0.5333 0.7447 1.2549 0.6729 1.1603 0.7228 1.6643 1.5276 0.0625 0.0625 0.2579 0.2609 2.1213 1.0729 2.1804 3.1496 0.2473 0.5095 1.0721 0.9805 gamma-glutamylglutamate 0.3611 0.3611 0.9035 0.3611 0.3611 0.6270 0.3611 0.6319 2.4714 0.3611 3.0908 2.6536 0.3611 0.5009 0.4323 1.0000 0.3611 0.3611 0.3611 0.3611 0.3611 0.3611 0.5344 0.8901 0.7565 1.1369 0.5364 1.9139 2.7382 1.7915 0.3774 3.6232 0.3611 1.4764 0.3611 0.3611 0.4217 2.0016 1.9452 1.2178 glucose 1.8896 4.2290 2.2222 1.0000 2.5009 0.8030 0.8811 0.8554 0.3095 0.0816 0.1285 0.2060 0.6073 0.5647 0.5520 1.1300 1.6328 2.0951 0.7121 1.5111 1.2210 0.8418 2.5522 0.8268 0.5870 0.9897 0.7724 0.4384 0.1881 0.1999 0.0816 0.2510 1.6616 0.9071 1.0824 1.2968 0.2891 0.7196 1.0497 0.7195 glucuronate 0.5611 0.6966 0.4423 0.4724 0.2336 0.2118 0.2840 0.3032 1.7901 0.8453 1.0032 1.0982 0.2615 0.2425 0.3639 0.2831 0.3940 0.2118 0.2118 0.2118 1.6762 1.3485 1.7039 1.2855 2.0583 1.8775 1.7559 1.5173 1.0788 1.7109 0.8263 1.8223 1.1071 0.9093 0.8886 0.9968 0.3069 0.6857 0.9458 0.7066 glutamate 1.0802 1.6131 0.8858 1.0319 0.6570 0.8505 0.6567 0.7690 1.0895 0.5812 0.7015 0.6870 1.3387 1.0878 1.4918 1.7469 1.2020 1.1976 0.6276 0.8822 1.3730 1.1849 1.5250 1.1464 1.0321 0.9962 1.0038 0.9380 0.7350 1.0166 0.5713 1.0872 2.0346 1.6869 1.8800 1.8310 0.2473 0.7022 0.8162 0.6260 glutamine 1.4008 2.0289 1.1607 1.1473 0.8381 0.8529 0.7209 0.9092 0.2667 0.1829 0.3621 0.4572 0.9444 0.7510 1.0057 1.3097 0.3548 0.3736 0.1583 0.3091 2.0152 1.4085 2.1746 1.5402 1.3539 1.3011 1.4579 1.2585 0.4062 0.2870 0.2573 0.5173 1.0064 0.6659 1.0266 0.9943 0.0333 0.1201 0.1639 0.1347 glutamine_degradant* 1.1639 1.2177 0.8229 0.7099 0.8131 1.1887 0.8324 1.1284 0.7029 0.4097 0.4590 0.4997 0.6008 0.6789 0.8337 0.8779 1.1357 1.2041 0.4962 0.8383 2.7872 0.9001 1.2715 0.9269 1.7010 1.4958 1.4372 1.3986 0.6612 0.8616 0.5875 0.8433 1.0162 0.8953 1.0000 0.9247 0.7468 1.8939 2.6824 1.8864 glutathione_ oxidized (GSSG) 0.8657 1.2516 0.8016 0.7733 0.7237 0.9391 0.7348 0.7860 2.7155 1.6313 1.7447 1.6407 0.8615 0.7206 1.0861 1.0789 0.9230 1.0829 0.6655 0.8457 1.1192 1.0508 1.3346 1.0384 0.7885 0.8015 0.7839 0.7007 1.6994 2.6262 1.4436 2.5932 0.9616 0.8101 0.8951 0.8219 0.1890 0.4804 0.6181 0.4829 glutathione_ reduced (GSH) 1.0274 1.3146 0.7753 1.0421 0.6671 0.9638 0.7816 0.9323 0.9510 0.2991 0.4204 0.4204 1.0452 0.8189 1.2569 1.4698 1.1557 1.1466 0.5770 0.7543 1.2427 1.1083 1.3994 1.0662 1.3868 1.2963 1.3807 1.3120 0.4245 0.6766 0.4473 0.8191 1.2408 1.0531 1.2249 1.1750 0.3291 0.8882 1.1788 0.9726 glycerate 1.4187 2.0211 1.3115 0.8167 0.5436 0.7065 0.7454 0.7241 11.8048 4.9116 6.0715 6.1156 1.0382 1.3807 1.7027 1.6331 0.4615 0.7471 0.3382 0.4731 0.9618 0.6157 0.8792 0.8642 0.2876 0.3900 0.2176 0.2763 5.5082 8.4221 4.2035 8.8959 0.6547 0.7471 0.6481 0.6961 0.0983 0.2630 0.2951 0.3047 glycerol 3-phosphate 2.9614 2.8048 0.6730 1.5793 1.6285 0.8274 1.7752 0.7599 0.7211 0.2519 0.3853 0.4764 0.8916 0.7154 0.9158 0.9423 0.5790 0.8557 0.5398 0.3804 2.1214 1.8140 4.5194 1.8236 2.4014 1.9717 2.7773 1.4035 0.5227 0.7588 0.2739 0.5705 1.3211 0.7742 1.7019 1.3908 0.4189 1.0257 1.7517 0.9743 glycerophosphoethanolamine 0.6491 1.1889 0.5804 0.7192 1.2622 1.8844 1.4944 1.6492 1.4796 0.7113 0.8226 0.8539 1.0242 0.8007 1.3427 1.3699 1.5939 1.9198 1.2619 1.5168 0.6110 0.4589 0.6478 0.5503 1.0944 1.0121 0.8496 0.9933 0.9546 1.2483 0.7589 1.4465 1.2381 0.8240 1.0067 0.9435 0.3522 0.8713 1.0095 1.0508 glycerophosphoglycerol 0.5178 0.6809 0.4222 0.5617 0.9497 1.1715 1.1188 1.0591 2.0798 1.1826 1.3606 1.3647 0.8675 0.7706 1.2953 1.0354 0.9254 1.0010 0.7447 0.7772 0.6367 0.5280 0.6380 0.5091 1.2637 1.0062 0.9165 0.8958 1.3624 1.9106 1.2685 2.3567 1.2574 0.9270 0.8722 0.9990 0.5871 1.1926 1.4198 1.4889 glycerophosphoinositol* 0.9584 1.5798 1.0332 1.0499 0.6355 1.1065 0.8548 1.0061 0.9341 0.4622 0.5557 0.5826 1.5528 1.3010 1.8863 2.1714 1.3248 1.4622 0.8257 1.0678 0.8863 0.6207 0.6868 0.5481 0.9298 1.0432 0.7597 0.7774 0.5931 0.8650 0.4035 0.8377 1.9029 1.3993 1.4789 1.2520 0.4128 1.0117 1.6401 1.0469 glycerophosphorylcholine (GPC) 0.8733 1.5415 0.7056 0.8449 1.1569 1.8479 1.3032 1.5700 2.2166 0.8524 0.9753 1.0651 0.8241 0.6503 0.9395 1.0286 1.3689 1.8508 0.9860 1.2820 0.6931 0.4948 1.0140 0.7406 0.6677 0.7480 0.6250 0.6767 1.1732 1.8445 0.9229 1.9429 0.7180 0.5239 0.7764 0.6653 0.1812 0.5374 0.6756 0.4928 glycerophosphoserine* 0.5821 0.8196 0.7466 0.7764 0.6719 0.8455 0.7397 0.9699 1.3368 0.8416 1.0185 0.9301 1.0896 1.0000 1.4474 1.6152 0.9961 1.1892 0.7228 0.8048 1.4886 1.0793 0.9092 0.8030 1.4458 1.4631 1.1478 1.2962 1.0952 1.3718 0.7268 0.9743 1.7287 1.4175 1.2736 1.1863 0.6123 1.4552 1.8768 1.4491 glycine 1.0023 1.4172 0.9154 0.9178 1.0371 1.5128 1.2504 1.3849 1.3930 0.6945 0.9018 0.9889 0.7768 0.6407 0.9353 0.9977 1.3542 1.6749 0.8469 1.0958 1.0585 0.8948 1.2434 0.8649 1.0228 0.9844 1.0160 0.9705 0.9710 1.2340 0.6412 1.3346 0.6552 0.5257 0.6030 0.4803 0.2864 0.8506 0.9733 0.7750 glycosyl ceramide (d16:1/24:1_ d18:1/22:1)* 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.8072 0.4259 1.3475 1.0533 1.3140 0.4259 0.7397 1.0626 0.4259 0.6225 0.4259 0.4259 0.9519 1.5069 0.8962 1.0481 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 0.4259 glycosyl ceramide (d18:1/20:0_ d16:1/22:0)* 0.6668 0.6871 0.6385 0.9275 1.0193 1.2975 1.4274 0.6101 0.9675 0.6361 1.0221 0.9594 1.1287 0.6444 1.2034 0.9725 1.2662 1.0889 1.2127 1.3097 1.0725 0.8996 0.9807 0.9226 2.8828 2.6683 1.9108 2.0241 0.7985 1.1211 0.9426 1.6547 1.1870 0.9230 0.9542 0.9370 0.5304 1.3420 1.5417 0.9137 glycosyl ceramide (d18:2/24:1_ d18:1/24:2)* 1.2648 2.0582 1.0453 1.6187 0.7401 1.1189 0.9664 0.9141 1.6805 0.9675 1.3993 1.3535 1.2843 1.0665 1.8317 1.6890 0.8954 1.1339 0.8543 1.0325 0.9232 0.8203 1.0635 0.8022 0.8320 0.8398 0.7324 0.6870 1.1450 1.7016 1.1719 2.0482 0.6675 0.5669 0.5908 0.5796 0.1310 0.3031 0.3514 0.2561 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1.2526 1.7173 1.0793 1.3997 0.6443 0.9198 0.8279 0.9017 0.5760 0.2922 0.4710 0.4054 1.8573 1.4161 2.3956 1.9030 2.1791 1.7621 1.3334 1.7529 0.8503 0.7092 0.9391 0.7204 1.8394 1.7593 1.4791 1.4542 0.3237 0.4319 0.3906 0.6799 1.2750 0.9384 1.1521 0.9631 0.4368 1.0369 1.6592 0.9199 glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 0.5635 0.5885 0.8519 1.1189 1.0071 1.4671 1.3443 1.4252 0.7506 0.3921 0.7783 0.5602 1.0112 0.6343 1.4857 1.3643 1.6712 1.4277 1.4251 1.7249 0.8984 0.8766 0.8679 0.6381 2.7416 2.5141 1.8941 1.9868 0.4290 0.5658 0.7859 1.1041 1.2706 0.9929 0.9393 0.7960 0.4310 1.0244 1.4043 0.9882 glycylleucine 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 1.2256 1.6586 1.6191 1.8818 0.2494 0.2494 0.3720 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.2494 0.7124 0.6307 0.6691 1.5885 1.1483 1.0434 2.3459 2.1346 0.2494 0.3811 0.2494 0.2636 0.2494 0.4465 0.6678 1.0000 guanidinoacetate 0.3694 0.3677 0.2921 0.3148 0.3339 0.3593 0.3845 0.4469 1.7914 1.0937 1.6827 1.8210 0.5215 0.3052 0.6064 0.6807 1.7479 1.5951 1.0644 1.3465 1.2815 0.6296 0.8924 0.4876 1.0283 0.7112 0.7047 0.5536 1.9710 2.0431 1.7861 3.1368 1.0835 0.7748 0.7570 0.6823 0.8116 2.5729 2.9879 2.2961 guanine 0.6411 1.1874 0.7992 0.6420 0.4844 0.9524 0.5585 0.5382 0.4997 0.3990 0.5438 0.4397 1.9403 1.6039 2.0743 2.3553 2.5489 2.0039 1.2858 1.7080 1.4694 1.0476 1.1436 0.8466 1.4511 1.7948 1.1167 1.3318 0.4367 0.5270 0.3699 0.5784 3.1131 2.8613 2.9906 2.3600 1.2606 3.9509 4.8506 3.1601 guanosine 0.6323 1.2710 0.9297 0.6360 0.4147 0.7769 0.5825 0.7744 2.0873 0.8817 1.3157 1.4545 1.2526 1.0823 1.5722 1.8899 1.1648 1.2166 0.7054 1.1068 1.0190 0.7463 1.0384 0.9810 0.7666 1.0664 0.8787 1.1181 1.2490 1.9436 0.9324 2.2444 1.7814 1.6690 1.9252 1.6527 0.6309 1.8195 2.3669 1.7751 guanosine 5^-diphosphate (GDP) 1.3416 0.7399 0.2540 1.0000 1.2203 0.2540 0.9840 0.2540 0.2540 0.8761 0.5741 0.2540 0.2540 0.2540 0.5515 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.3370 1.0495 0.2540 0.4522 0.2743 0.6134 0.7625 0.3564 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 0.2540 guanosine 5^-diphospho-fucose 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.4553 0.8641 0.4553 0.4553 1.4570 1.3668 0.7626 1.0000 0.4553 0.4553 0.4553 0.4553 0.9775 0.9514 0.4553 0.4553 0.4553 1.6026 1.6809 1.6199 guanosine 5^-monophosphate (5^-GMP) 0.9267 2.0133 0.7724 0.8493 0.6996 1.1233 0.7883 0.9808 2.5960 0.9243 1.3029 1.1997 1.1059 0.7733 1.1234 1.2938 1.1563 1.2378 0.7318 0.9031 0.9292 0.8770 1.1312 0.8999 1.1007 1.1686 0.9752 0.9573 1.1830 1.7771 0.9353 2.4470 0.7663 0.6825 0.8683 1.0192 0.2860 0.8340 1.0569 0.7821 gulonate* 0.7570 1.3035 0.7948 0.7040 0.3374 0.2875 0.4902 0.4445 0.3663 0.2875 0.4731 0.2911 0.3245 0.3095 0.5410 0.3216 0.4840 0.2875 0.3397 0.2875 3.0799 1.7691 1.2387 1.5654 3.7477 3.5278 2.1200 2.2643 0.7587 0.5944 0.3683 0.6840 2.0321 1.6222 1.4812 1.5160 1.2052 3.0929 3.6242 2.4744 heme 1.1789 0.9593 0.8665 1.1488 0.4345 1.5719 1.3863 1.3966 6.7717 3.9933 3.1640 2.8609 1.0544 0.8709 0.4652 0.9251 1.1710 0.8825 0.4061 0.1541 0.6510 0.7211 0.1541 0.4255 0.1541 0.1541 0.1541 0.1541 4.1457 6.7961 4.3028 10.7071 0.6224 0.5827 1.0000 0.3530 0.3637 1.2592 1.2098 0.7162 HEPES 1.2620 2.1399 1.0920 1.0139 1.4750 1.2591 1.0955 1.0912 0.0224 0.0137 0.0357 0.0336 0.7611 0.5896 0.8451 0.9861 1.3736 1.7280 1.0259 1.2354 0.9696 0.6718 1.3617 0.7380 0.9030 1.0699 0.9073 0.6834 0.0255 0.0229 0.0213 0.0378 0.7474 0.3936 0.5924 0.6441 0.2039 0.7319 1.0278 0.6245 hexanoylcarnitine (C6) 0.7497 0.0313 0.0313 0.0313 0.1872 0.0313 0.0313 0.0313 1.5786 1.2858 1.0000 1.0087 0.0313 0.0313 0.4457 0.0313 0.0313 0.0313 0.0313 0.4217 0.7044 0.7846 1.7641 0.0313 0.0313 0.0313 0.4428 0.2031 0.5650 2.1826 1.3906 2.1891 0.3969 0.1243 0.2822 0.4810 0.0313 0.0313 0.0313 0.0313 hippurate 0.9900 2.1890 1.0192 0.2408 1.8886 0.2408 0.7036 0.2408 0.2408 0.2408 0.2408 0.2408 0.7530 0.2408 0.5754 1.0630 1.1565 1.4381 0.6402 1.1613 1.0911 0.8975 1.4813 1.0100 0.5284 1.0444 0.8001 0.7544 0.2408 0.2408 0.5484 0.2408 0.7853 0.5455 0.7129 0.6090 0.2408 0.8648 1.1008 0.6825 histidine 0.8025 1.0958 0.7763 0.6390 0.8553 0.9208 0.7288 0.9747 1.4994 1.0620 1.6910 2.3909 0.8600 0.6921 1.1642 1.3943 0.8787 0.9637 0.6012 0.8284 0.9065 0.6718 1.0998 0.8329 0.9797 1.0203 0.9601 1.2446 2.2343 1.4028 1.2789 2.2724 0.9514 0.7884 0.7910 0.6936 0.3146 0.8175 1.0525 0.8652 homocysteine 0.8757 1.0105 0.9434 0.9552 0.4805 0.9034 0.7832 0.8506 0.1833 0.1833 0.1833 0.1833 1.6332 1.3071 1.6248 2.4314 2.8276 1.6944 0.6340 1.3287 1.1747 0.7737 1.1565 0.6653 0.9807 0.9463 0.8831 1.0332 0.3065 0.3096 0.1833 0.1833 2.0816 1.9924 2.2600 1.0639 0.6174 1.5034 3.2614 1.3143 homostachydrine* 0.8312 1.3359 1.0443 1.1589 0.6737 0.9236 0.8018 0.5668 0.3161 0.3935 0.3161 0.5557 1.1264 0.7745 1.0899 1.2351 0.3161 1.4361 0.3161 1.0410 1.2019 1.1915 1.8230 0.8312 0.8456 1.0000 0.9956 0.6317 0.4928 0.6737 0.3161 0.3161 1.5104 1.2134 1.1307 0.8725 0.4025 0.9078 1.6372 0.7802 hydroxy-N6_N6_N6-trimethyllysine* 0.7558 1.0821 1.0648 0.7432 0.3713 0.3713 0.9591 0.7409 0.3713 0.3713 0.7112 0.9239 0.7695 0.7413 1.3989 1.6266 0.8454 0.3713 0.3722 1.0963 1.1022 0.7380 1.3225 0.3713 1.0409 1.4886 0.9043 1.1196 0.3713 0.3713 0.3713 0.3713 1.2892 0.9193 1.2996 1.2050 0.3713 0.9509 1.7520 0.3713 hypotaurine 0.7015 0.9156 0.6260 0.6638 0.5360 0.6622 0.6066 0.7446 1.6277 0.7353 0.8938 0.7064 0.7272 0.6031 0.8740 0.9265 1.3938 0.9729 0.6273 0.8851 1.6517 1.3271 1.7990 1.3139 1.9117 1.7018 1.8503 1.7359 0.8397 1.1985 0.8375 1.5134 1.7763 1.4037 1.5851 1.4628 0.7823 2.0316 2.5441 2.0619 hypoxanthine 0.3755 0.9859 0.9069 0.5636 0.3104 0.6364 0.5331 0.7204 1.6638 0.9172 2.4547 2.1870 1.0639 0.8770 1.5677 1.6543 1.3649 1.3232 0.9555 1.3156 1.1053 0.5903 0.9117 0.7078 0.9442 1.0141 0.7846 0.9122 2.5431 1.8519 1.1434 2.6675 1.8117 1.6727 1.9464 1.4994 0.7796 2.1593 2.7422 1.7186 imidazole lactate 0.4466 0.7007 0.4466 0.4466 0.4466 0.4466 1.0000 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 0.4466 1.2771 0.4466 1.0249 0.4466 1.1428 0.9089 0.8868 1.0626 0.4466 0.4466 0.4466 0.4466 0.7515 0.7214 0.4466 0.8033 0.4466 1.5283 1.8756 1.2719 imidazole propionate 1.4849 1.1466 0.5589 1.6140 0.4806 1.2286 0.8337 1.0222 0.7444 0.4806 0.4806 0.4871 0.4806 0.4806 1.0940 0.6638 0.4806 1.0742 0.9262 0.4806 0.4806 0.7405 0.4806 0.6895 1.1520 1.0000 1.1740 0.9579 0.4806 0.5051 0.4806 0.4806 1.1113 0.8619 0.7168 0.9860 0.6724 1.7754 2.2976 1.8864 indolelactate 0.1910 1.1302 0.8971 1.3434 0.7987 1.3746 1.3893 0.9545 0.1910 0.1910 0.1910 0.1910 0.1910 0.1910 0.3249 0.1910 0.1910 0.1910 0.1910 0.1910 1.1706 1.0060 1.2132 0.8434 1.1136 1.3484 1.0313 1.0000 0.1910 0.1910 0.1910 0.1910 0.1910 0.4344 0.1910 0.2695 0.1910 0.5831 0.1910 0.5339 inosine 0.6803 1.1332 1.1272 0.6882 0.3538 0.6780 0.6300 0.7429 1.3264 0.5933 0.9514 0.9694 1.4457 1.3015 1.9172 2.3218 1.0167 0.8580 0.5282 0.7847 1.4568 1.0980 1.0782 1.1739 1.0901 1.5568 1.2234 1.5803 0.9833 1.2424 0.7634 1.1726 2.2903 2.0055 2.2540 1.9990 0.6818 1.9428 2.4347 1.9352 inosine 5^-monophosphate (IMP) 1.0333 1.5474 1.4731 0.6526 0.8688 0.9706 1.0000 0.9627 0.2088 2.0181 0.3914 0.6206 0.8037 1.7980 5.6390 5.3560 0.1110 0.3357 0.1312 0.1568 2.4665 3.6196 1.3036 0.8182 1.1428 2.6965 1.7479 2.0650 1.5022 0.2688 1.1771 0.1454 4.6924 3.5868 1.9043 1.9084 0.6469 1.8431 1.9573 0.6891 isobutyrylcarnitine (C4) 0.4513 0.7774 0.4571 0.4165 0.2051 0.0392 0.0392 0.4208 5.8398 5.0478 4.4356 3.4172 0.8967 0.5739 1.0222 1.2138 0.5917 0.0392 0.4227 0.4349 0.5032 0.4222 0.5856 0.2633 0.2302 0.0813 0.2322 0.1456 5.4426 8.2996 2.6019 6.7577 1.3996 1.0007 1.0421 0.9993 0.0392 0.0392 0.1326 0.1352 isoleucine 0.9782 1.6680 0.9617 0.8651 0.8932 1.0678 0.8916 1.0283 0.7357 0.4250 0.8504 0.9993 1.0127 0.7915 1.1238 1.2808 1.1134 1.3351 0.7069 1.0019 1.0007 0.7317 1.1495 0.7342 0.8505 1.0094 0.8731 0.8738 0.8960 0.7534 0.5441 1.1952 1.0255 0.8428 0.9127 0.8628 0.2415 0.7862 1.1395 0.7593 isovalerylcarnitine (C5) 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.5766 0.7057 1.0000 0.6147 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 0.1549 1.3701 2.6013 0.8943 1.5935 0.1549 0.1788 0.7815 0.2939 0.1549 0.1549 0.1549 0.1549 itaconate 0.1684 0.3061 0.4328 0.6074 0.2888 0.2972 1.0526 1.3316 0.1337 0.1337 0.1337 0.1337 1.2601 1.1708 4.9045 5.2611 3.2796 5.0387 9.3992 11.1725 0.2277 0.2004 0.3657 0.3055 0.1337 0.1479 0.2479 0.2247 0.1337 0.1337 0.1337 0.1337 1.1160 0.9474 4.3973 3.7721 0.5710 1.6678 6.6343 5.4170 lactate 1.1137 1.9394 1.3368 0.9508 1.0321 1.2417 1.6238 1.3653 0.0607 0.1248 0.0837 0.0607 0.5357 0.6266 1.3109 0.8829 0.7222 0.8199 0.8317 0.7072 0.9797 1.0216 1.0000 0.6035 1.9723 3.1364 1.4521 1.5978 0.1366 0.1820 0.0713 0.2054 1.8744 1.5281 1.2627 1.6862 1.3135 3.4467 4.8865 3.7750 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 0.6028 1.0000 0.5989 1.0256 2.0306 3.9909 2.4530 3.2181 0.1299 0.1299 0.1299 0.1299 2.3904 1.8821 2.9681 2.8826 7.9966 10.5849 6.3205 8.9555 0.1299 0.1299 0.1299 0.1299 0.1299 0.1301 0.2191 0.1992 0.1299 0.1299 0.1299 0.1299 0.5293 0.3192 0.5175 0.4736 0.1299 0.3424 0.7260 0.3111 leucine 0.8466 1.5302 0.8289 0.7064 0.7898 0.9752 0.7159 0.9077 1.6896 0.9590 1.9624 2.5030 0.8405 0.7395 0.9438 1.1602 0.9835 1.1625 0.6328 0.9023 1.0165 0.6848 1.1355 0.8268 0.9016 1.0281 0.8656 1.0818 2.0370 1.4987 1.3367 2.6817 0.8381 0.8351 0.7865 0.7734 0.2574 0.8001 1.1400 0.7957 leucylglycine 0.6873 2.1105 0.5701 0.7486 0.4030 0.4030 0.5744 0.4030 4.3874 5.1188 5.8313 7.3956 0.6599 0.5870 0.8170 0.7246 0.4030 1.2000 1.0061 0.9291 0.8502 0.8706 0.4030 1.3327 1.5782 1.7627 1.8971 2.1940 3.0737 3.9606 5.6220 6.5703 0.6382 0.7468 0.4700 1.0000 0.4030 0.8131 1.2036 0.9788 lignoceroyl sphingomyelin (d18:1/24:0) 0.5966 0.6057 0.5776 0.7712 1.1013 1.2318 1.3873 1.5222 0.8031 0.5899 1.0901 0.9676 0.4215 0.3038 0.7889 0.6232 1.2788 1.2780 1.0244 1.2743 1.0000 0.8221 1.4523 1.0633 1.7942 1.5993 1.3878 1.4389 0.7497 0.8921 1.0831 1.8441 0.9020 0.7244 0.8836 0.8031 0.4817 1.4153 1.6680 1.2623 lysine 0.8516 1.5039 0.8438 0.7746 0.6748 0.8754 0.6333 0.7980 3.1164 1.9931 2.6592 3.5774 0.7547 0.5833 0.8053 1.1109 0.9712 1.0959 0.6014 0.9470 1.0288 0.7652 1.1975 0.8852 0.8458 0.9387 0.9025 1.0434 3.2548 3.1762 2.0382 4.4431 0.7745 0.8207 0.7468 0.6112 0.2783 0.9158 1.1383 0.8641 lyxonate 0.0964 1.2243 0.5535 0.0964 0.7105 0.0964 0.0964 0.0964 7.0108 2.0077 3.1791 3.9669 0.4099 0.4262 0.9865 0.7205 0.0964 0.0964 0.0964 0.0964 1.2418 0.9683 1.2140 1.0181 0.4304 0.5443 0.4151 0.4010 3.2563 4.6062 2.5995 6.7870 0.8178 0.9090 1.0000 0.9772 0.0964 0.6530 0.2761 0.2464 malate 1.0834 1.6221 1.0070 1.0391 0.8860 1.1760 1.0424 1.0556 0.6000 0.3141 0.3257 0.3121 1.0694 0.8538 1.4029 1.4145 1.1007 1.1424 0.7650 0.8601 1.0729 0.9341 1.1677 0.8143 0.8860 0.9683 0.9100 0.7913 0.3495 0.6119 0.2745 0.5071 1.5272 1.2432 1.4753 1.3401 0.3240 0.7756 1.1441 0.8258 mannitol/sorbitol 1.2850 1.8691 0.9943 0.9180 0.7542 0.8505 1.0479 0.8634 0.1871 0.1109 0.1322 0.1514 1.0435 1.1696 1.4517 1.5335 0.6826 0.6984 0.6351 0.5885 1.5473 1.2850 1.4666 1.1475 1.5982 1.5024 1.0693 1.3080 0.1286 0.1616 0.1796 0.1567 1.3843 1.0705 1.0307 1.1601 0.3253 0.7133 0.8858 0.6595 mannonate* 0.4909 1.1548 0.7695 0.4898 1.2007 1.6960 0.6524 0.7718 0.8004 0.4573 0.6345 0.7855 0.7620 0.7726 0.9934 1.1612 1.3557 2.5852 0.5432 0.9825 1.2061 0.7685 1.0638 0.9511 1.6147 1.3502 1.0894 1.2121 0.6121 0.9275 0.4573 1.2684 1.1248 1.0066 1.4290 1.1534 0.5152 1.5304 1.9175 1.1907 mannose 0.4557 1.0258 0.9098 0.4557 0.4557 1.3821 0.4557 0.7761 0.4557 0.4557 0.4557 0.4557 0.4557 0.5023 1.0000 1.4701 0.4557 0.4557 0.4557 0.5996 0.4557 0.4557 0.4557 0.4557 0.5888 0.6200 0.6189 0.7867 0.4557 0.4557 0.4557 0.4557 1.0885 1.3390 1.1536 0.9702 0.4557 1.3409 1.8933 1.1440 methionine 0.7276 1.0475 0.7061 0.6526 0.4959 0.6621 0.4498 0.6342 2.4035 1.6080 3.1505 4.2202 0.8438 0.8047 1.0143 1.2703 0.7136 0.6676 0.4238 0.7602 0.9997 0.6351 0.9423 0.9706 1.2683 1.1595 1.1396 1.5117 3.1732 2.0916 2.2681 3.6202 0.9814 1.1237 0.9738 0.8390 0.3745 1.0000 1.3371 1.0002 methionine sulfone 0.8566 1.5066 1.1505 0.8891 0.4775 0.3504 0.8213 0.5056 1.7321 0.9583 1.0000 1.2371 1.1640 0.5862 1.1165 1.5354 0.8608 0.3504 0.3504 0.8822 0.8335 1.1288 1.0013 0.6038 1.1126 1.0560 1.1579 0.9900 0.9949 1.5254 0.6864 1.4985 1.4930 0.8085 1.0302 0.7715 0.3504 0.9453 1.8204 0.8458 methionine sulfoxide 0.8802 1.3301 0.8681 0.8404 0.7399 0.8716 0.9227 0.8744 1.0067 0.6799 0.8482 1.2514 1.0019 0.6883 1.1320 1.2462 1.1332 1.2970 0.6242 0.9981 0.9913 0.8034 1.2692 0.6413 0.7007 0.7915 0.8226 0.7475 1.0931 1.1877 0.7278 1.1351 1.1200 0.8568 1.0216 0.8091 0.2984 0.7218 1.3413 0.7308 methylmalonate (MMA) 1.1589 0.3063 0.7784 0.8895 1.1070 1.1929 0.9381 0.3063 0.3063 0.3063 0.3063 0.6366 0.9272 0.4274 1.1236 1.1889 1.4546 0.3063 1.5176 1.4064 0.6925 0.8800 0.3063 0.5309 0.6358 0.7790 1.1052 0.6095 0.7402 1.1144 0.3063 1.4376 1.0597 0.9670 1.0330 1.0850 0.3063 0.6770 1.1156 0.8086 methylphosphate 0.5614 0.8742 0.4944 0.6773 0.3185 0.5033 0.4908 0.3540 1.3998 1.2658 1.1924 1.2187 0.9812 0.7369 1.2202 1.1017 1.0000 0.9088 0.6839 0.8447 0.7506 0.6451 1.0309 0.7116 0.7844 0.8994 0.8191 0.8807 1.3826 1.6226 1.6286 1.8426 1.7362 1.3903 1.3689 1.7640 0.6253 1.6781 2.5874 2.0179 myo-inositol 0.8761 1.3166 0.8094 0.7745 1.0045 0.9185 0.9148 0.9108 1.0432 0.5404 0.7061 0.7244 0.7410 0.5982 1.0001 0.9870 1.1334 1.1164 0.7304 0.9999 1.0461 0.9683 1.5134 0.9237 1.4993 1.4027 1.2996 1.1370 0.6599 0.8668 0.6806 1.1835 1.0581 0.7644 0.8927 0.8997 0.3429 0.9869 1.3431 0.8860 N1-methyladenosine 0.3320 0.3320 0.9404 0.8316 0.3320 0.3320 0.6882 0.3320 1.7768 2.3533 2.1672 2.6297 1.2616 0.9100 1.6439 1.6170 0.8032 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.3320 0.8788 0.4950 0.6561 0.7603 2.9376 4.0149 0.9600 3.3858 0.9035 0.9599 1.0000 0.4126 0.5051 1.2633 2.1873 1.0450 (N(1) + N(8))-acetylspermidine 0.0940 0.0940 0.0940 0.0940 0.1045 0.3937 0.4145 0.2635 0.0940 0.0981 0.1026 0.1522 3.2111 2.1698 3.2253 4.8904 1.0961 1.8787 1.2918 1.1928 0.0940 0.0940 0.0940 0.0940 0.0940 0.0940 0.0940 0.0940 0.0940 0.2133 0.1107 0.3740 1.1882 1.1610 0.8852 1.0000 0.6758 1.9014 2.0159 2.1017 N2_N2-dimethylguanosine 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 1.1466 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.1617 0.8140 0.9417 1.0914 0.1617 0.1617 1.0583 1.2916 0.9073 N6-carbamoylthreonyladenosine 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 1.0959 0.7183 1.4008 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.5556 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.4449 0.9041 0.4449 0.4449 0.7662 0.4449 1.4337 1.9945 1.4757 N6-methyllysine 0.3118 1.3286 0.7590 0.5246 0.3118 0.3118 0.3118 0.5550 5.5384 4.0300 2.3062 5.5868 0.5014 0.4745 0.7445 0.7916 0.3118 0.5401 0.3118 0.6053 1.2250 0.4599 1.0770 0.6617 0.4230 1.0000 0.4832 0.7367 3.4620 3.7398 2.6931 5.6023 1.0603 1.0074 0.8774 0.6747 0.3304 1.3553 1.8056 0.9774 N6_N6_N6-trimethyllysine 0.7900 1.6078 0.7444 0.6763 0.5978 0.5814 0.8741 0.8318 3.0010 2.1573 2.3251 3.7612 1.0120 0.8391 1.2503 1.3315 1.0783 1.4188 0.7918 1.1043 0.7581 0.5873 0.8032 0.6654 0.7444 0.9655 0.7219 0.8641 2.7019 2.6876 2.1939 4.1963 0.9880 0.8153 0.6572 0.7688 0.5080 1.5800 2.1253 1.5880 N6-succinyladenosine 0.2023 0.2023 0.8452 0.2023 0.2023 0.8278 0.4607 1.0000 0.2023 0.4372 0.2023 0.2023 1.5991 1.5612 1.5351 4.2277 0.5310 0.3659 0.2881 0.7031 1.0272 0.8451 0.3469 1.1311 0.6827 1.2088 0.7891 1.5852 0.4550 0.2023 0.2023 0.2023 3.0184 3.6690 3.6383 2.3467 0.8161 2.3386 4.1533 1.9231 N-acetylalanine 0.6290 0.9037 0.6169 0.7126 0.6076 0.7397 0.6768 0.8457 1.4852 0.8041 1.4817 1.4934 0.6538 0.6084 0.8139 1.0354 1.1767 1.0054 0.5307 0.9419 0.8758 0.9582 0.9946 0.7871 1.3493 1.1410 1.1608 1.5062 1.5811 1.4042 0.9134 2.2389 1.5314 1.4939 1.3640 1.2841 0.5369 1.3632 2.1084 1.7398 N-acetylarginine 1.2088 1.7946 1.1805 1.4461 0.8180 1.2081 1.1459 1.1362 0.9500 0.7251 0.6727 0.6487 1.0000 0.9404 1.3853 1.2229 1.0039 1.6056 0.8419 0.9134 1.2700 1.2972 1.3947 1.0472 1.5201 1.6206 1.3006 1.3300 0.5450 0.7173 0.3630 0.7779 0.9322 0.7697 0.7724 0.7902 0.5587 1.5857 1.7044 1.3969 N-acetylasparagine 1.2725 1.9391 0.9501 1.0337 1.2599 1.5077 1.2510 1.4430 0.4020 0.2553 0.0608 0.0914 0.8416 0.7129 0.8124 1.0276 1.1163 1.4487 0.8767 1.3077 2.1982 0.9545 1.3251 0.9724 1.3779 1.3351 1.2692 1.2039 0.3401 0.3845 0.2726 0.1557 0.5685 0.3754 0.4571 0.4971 0.4874 1.2992 1.6532 1.3094 N-acetylaspartate (NAA) 1.0788 1.4006 0.9810 1.1036 0.5384 0.6525 0.7645 0.6983 4.7263 2.0303 2.6939 2.4225 1.0190 0.8183 1.4235 1.1592 0.9283 1.0224 0.6928 0.7627 1.2239 1.1029 1.6073 1.1824 0.8035 0.6828 0.8092 0.7442 2.4258 3.8366 2.4366 4.7218 0.9159 0.8512 0.9732 1.0190 0.3035 0.7933 0.9810 0.8362 N-acetylcysteine 0.3714 0.3714 1.0150 0.3714 0.6720 1.0051 0.9210 1.4585 0.3714 0.3714 0.3714 0.3714 1.1116 0.5047 1.1336 1.9144 1.5145 0.3714 0.3714 1.9552 0.3714 0.3714 0.3714 0.3714 0.8330 0.3714 0.6852 0.6352 0.3714 0.3714 0.3714 0.3714 1.3726 1.0579 0.9949 0.5578 0.3714 0.5622 1.6039 0.5922 N-acetylglucosamine/N-acetylgalactosamine 1.1657 2.0356 1.1167 1.1849 0.5711 0.9026 0.8035 0.9730 1.1693 0.5567 0.6880 0.6751 1.2487 1.0647 1.4491 1.7902 1.1293 1.1048 0.6684 0.9911 1.1312 0.8415 1.2001 0.8828 1.1143 1.1495 1.0238 1.0339 0.7143 1.0165 0.6080 1.0089 1.0298 0.8816 1.0556 0.8841 0.4593 1.2962 1.7643 1.2019 N-acetylglucosaminylasparagine 0.7653 1.2046 0.8329 0.8592 0.4615 0.7121 0.6755 0.7077 2.5212 1.2483 1.3256 1.3802 0.8738 0.7899 1.1832 1.1892 0.9655 1.0086 0.5897 0.7514 1.0247 0.8984 1.0591 0.7550 1.0213 0.8981 0.8697 0.8431 1.5982 2.2175 1.0357 2.1589 0.8796 0.6634 0.8153 0.7681 0.3869 0.9827 1.4031 0.9914 N-acetylglutamate 0.7224 1.1342 0.9007 0.8988 0.5957 0.7130 0.8230 0.7945 0.2746 0.2746 0.3601 0.2746 1.0312 0.7568 1.3388 1.1923 1.4436 0.9511 0.6954 1.1834 1.1462 0.9313 1.4742 0.9370 1.5539 1.4599 1.4746 1.4117 0.4921 0.4616 0.3798 0.5985 2.2669 1.6263 1.9683 1.6155 0.8504 2.1574 3.2306 2.0934 N-acetylglutamine 1.2842 2.0612 1.1215 1.3943 0.9741 1.2570 1.0259 1.2469 0.4864 0.2597 0.3367 0.2872 0.7332 0.6146 0.8144 0.8921 0.9176 0.7229 0.3544 0.5966 2.1608 1.6470 1.9845 1.4108 2.1403 2.1434 1.8055 1.8055 0.3598 0.4723 0.3491 0.6447 1.1656 0.8608 0.9485 0.9623 0.4697 1.2513 1.5731 1.3043 N-acetylmethionine 0.7040 1.0755 0.6826 1.0134 0.3896 0.6126 0.5567 0.6444 3.9837 2.2107 3.4317 3.9030 0.6387 0.5673 0.8947 1.0756 0.9227 0.6555 0.4672 0.7906 0.8110 1.1064 1.3070 0.8821 1.6911 1.2663 1.5854 1.6583 2.6854 3.2703 3.0032 6.0090 0.9866 0.8753 0.8160 0.9240 0.4651 1.1365 1.4956 1.7203 N-acetylmethionine sulfoxide 0.4492 1.0000 0.6939 0.4492 0.4492 0.4492 0.4492 0.4492 2.6025 2.1820 3.1024 3.6404 0.4492 0.4492 0.4492 0.4492 0.4492 0.4492 0.4492 1.1057 0.4492 0.4492 0.4492 0.7655 0.9680 0.4767 0.8282 0.7913 3.5460 3.8128 3.1376 5.6106 0.4492 0.4492 0.4492 0.4492 0.4492 0.4492 0.6582 0.6923 N-acetylneuraminate 0.6766 0.8809 0.4463 0.7409 0.8806 0.4014 0.3231 0.5346 0.5598 0.3012 0.4940 0.4703 0.7572 0.8026 1.4096 1.3356 1.9295 1.0274 0.9726 1.3483 1.0785 1.1046 0.8378 0.7448 1.2242 1.2911 0.9160 0.8569 0.4517 0.3869 0.6356 0.8645 4.2927 3.3819 3.8267 3.3296 0.7917 2.0222 2.9183 1.8823 N-acetylserine 0.6604 1.2643 0.6294 0.7878 0.6789 0.9427 0.8370 0.9495 0.7350 0.2582 0.4972 0.4100 0.6252 0.5663 0.7164 0.8603 1.9309 1.4286 0.8727 1.1937 1.2433 1.0286 1.2970 0.9373 1.5575 1.7134 1.4941 1.4329 0.5634 0.7088 0.6619 1.2509 1.4552 1.2291 1.3364 1.4270 0.9944 2.6621 4.0549 2.8597 N-acetyltaurine 0.6172 0.6911 0.5435 0.4987 0.3009 0.3452 0.3214 0.3493 3.8906 2.7182 2.8048 2.6324 0.8134 0.7178 1.2672 1.0214 0.6038 0.6107 0.4744 0.4694 1.3946 1.2467 1.4110 1.2333 1.0906 0.9764 0.8941 0.9396 2.6280 3.2990 2.2240 3.1683 1.3978 1.0068 1.1011 1.0985 0.3412 0.8330 0.9932 0.9192 N-acetylthreonine 0.8126 1.2292 0.9529 0.7111 0.6508 0.9294 0.7630 0.8653 1.1008 0.5461 0.6821 0.7482 0.7441 0.5418 1.1821 1.0502 1.1927 1.2273 0.8095 0.9822 1.0455 0.8725 1.1571 0.7908 1.1392 0.9815 0.9472 1.0313 0.9181 0.9550 0.6664 1.2238 1.4883 1.1172 1.3985 0.8593 0.6578 1.3130 2.5929 1.2816 N-carbamoylaspartate 2.4016 2.0624 1.7242 0.6575 0.0606 0.0532 0.1364 0.0632 0.0338 0.0338 0.0338 0.0338 0.8379 1.0807 1.1914 0.4129 0.0338 0.0338 0.0338 0.0338 1.6510 3.6699 3.1436 1.1456 0.4282 1.1922 0.6886 0.9193 0.0338 0.0338 0.0338 0.0338 35.1529 28.2000 26.0233 43.3620 0.0338 0.0909 0.1278 0.1400 N-formylmethionine 0.3831 0.9745 0.8078 0.5043 0.3831 1.2343 1.0339 0.9485 0.3831 0.3831 0.3831 0.3831 0.9522 0.6934 1.0255 1.0332 1.3051 0.3831 0.3831 0.8371 0.8751 0.8033 0.3831 0.6285 1.7546 1.7299 1.3177 1.3243 0.3831 0.3831 0.3831 0.3831 1.4870 0.9724 0.8311 1.2254 0.9677 1.9517 2.6858 2.1282 N-glycolylneuraminate 1.1800 1.7959 1.0387 1.1046 0.9167 1.2346 1.0014 1.0917 1.2593 0.6848 0.7868 0.8061 1.1572 0.9663 1.3650 1.5332 0.9430 1.1580 0.7101 0.8542 0.8358 0.7078 1.0221 0.7341 1.0919 1.1276 0.9586 0.9986 0.8560 1.1060 0.5613 1.0476 0.6293 0.5371 0.6654 0.5909 0.3184 0.7915 1.0911 0.7541 nicotinamide 1.1361 1.6184 0.9239 0.9673 0.7470 1.0547 0.7996 0.9489 1.5029 0.7425 0.8868 0.8546 0.6992 0.5984 0.7910 0.9275 0.8824 0.8613 0.5325 0.6915 1.4069 1.2209 1.5919 1.1594 1.2111 1.2981 1.1929 1.1146 0.9050 1.2634 0.7540 1.3705 1.1864 1.0241 1.1686 1.1331 0.2568 0.7061 0.9562 0.7087 nicotinamide riboside 1.0005 1.5412 0.9189 0.8908 0.7403 1.0344 1.1796 0.9995 1.7832 0.8771 0.9650 1.0092 0.7856 0.7038 1.1262 0.9910 0.4906 0.5614 0.4488 0.4381 1.0581 0.9123 1.1459 0.8203 1.5915 1.4653 1.1092 1.3137 1.0275 1.6336 0.9196 1.8044 0.8103 0.7080 0.6246 0.7655 0.4380 1.3025 1.5879 1.3447 nicotinate 1.0352 1.8275 1.1803 0.7258 0.6454 1.4335 0.8605 1.0570 2.0470 0.6691 1.0268 1.1257 0.8530 0.7278 0.5718 2.4310 1.3030 0.2362 0.5330 1.0137 1.4357 0.7762 1.5735 1.1011 0.7148 0.9434 0.9863 1.5219 1.2433 1.6466 0.9210 1.8695 0.6975 0.8373 1.0940 0.6853 0.2362 0.6905 0.9840 0.5469 N-monomethylarginine 0.1804 0.1804 0.2792 0.1804 0.1804 0.1804 0.1804 0.1804 1.2540 1.9742 3.2081 3.9428 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.1804 0.4146 0.6878 0.5976 0.6404 1.0000 3.9435 3.1327 1.9728 4.5049 0.3467 0.7331 0.3610 0.2611 0.3249 1.1381 1.4376 1.0805 N_N_N-trimethyl-5-aminovalerate 3.6059 1.6659 1.0745 0.9282 1.0091 0.4159 0.3820 0.3371 23.1825 3.8706 4.5381 4.0009 3.0351 0.8690 1.3902 1.0913 0.9909 0.4707 0.2818 0.2452 1.9308 2.1061 0.9487 0.8954 0.7019 0.8570 0.2774 0.3587 6.9712 11.5944 2.2574 5.5242 1.5486 1.5099 0.5328 0.7581 0.1762 0.6005 0.2319 0.2757 N_N_N-trimethyl-alanylproline betaine (TMAP) 0.7992 0.9875 0.5402 0.8274 0.1457 0.5112 0.4246 0.1457 6.8514 2.7056 4.2290 3.5539 0.7695 0.4335 1.0419 1.0511 0.1457 0.1457 0.1457 0.1457 1.2107 1.3172 1.2369 0.8980 0.9835 0.8426 0.8245 1.0498 3.6760 4.7762 3.4102 6.5430 0.6825 0.6838 0.8188 1.0125 0.1457 0.5810 0.3126 0.3906 N-palmitoyl-sphingadienine (d18:2/16:0)* 0.4366 0.8625 0.6609 0.6096 0.6049 1.0156 1.0952 1.0693 0.1081 0.1081 0.2617 0.2098 0.8251 0.7371 1.1580 1.0530 2.8388 2.9772 2.2083 2.9358 0.9844 0.7516 1.1702 0.7730 1.1263 1.3425 0.9539 1.0825 0.1346 0.2863 0.1081 0.4068 1.2207 1.1972 1.4610 0.9285 0.4697 1.2997 1.5454 1.0470 N-palmitoyl-sphinganine (d18:0/16:0) 1.6474 2.8538 1.9116 1.6735 1.7842 3.2379 2.8994 2.6817 0.9309 0.3463 0.7750 0.5883 3.3996 2.9816 4.2177 3.6434 8.0380 10.0420 8.5095 9.4653 1.0373 0.6592 1.0604 0.8716 0.7600 0.9317 0.5650 0.7361 0.5782 0.8071 0.1997 0.9677 0.6958 0.6954 0.7713 0.5383 0.4567 1.2201 1.3852 1.0000 N-palmitoyl-sphingosine (d18:1/16:0) 1.4905 2.2780 1.4837 1.6322 1.8427 2.9312 2.6894 2.6030 1.2289 0.4150 1.0010 0.7842 2.4803 1.9506 2.5548 2.7272 6.2829 7.2492 5.5045 6.9838 0.9733 0.6567 1.1188 0.8226 0.9990 1.1403 0.8551 0.8912 0.6581 1.0724 0.5006 1.4355 0.8548 0.8503 0.9743 0.6825 0.4455 1.2222 1.4664 1.0495 N-stearoyl-sphingosine (d18:1/18:0)* 0.7058 0.9779 0.7967 1.0221 1.7899 2.8209 2.5844 2.6033 1.6598 0.6449 1.3877 1.1109 1.3158 0.9133 1.4525 1.4561 4.6221 5.6091 4.8241 5.7172 0.7983 0.5638 0.7989 0.6618 0.8708 1.0618 0.6932 0.8470 1.1163 1.7832 0.7651 2.1572 0.6125 0.6301 0.6547 0.4860 0.3548 0.9317 1.0383 0.8354 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 1.6104 2.4345 1.8762 2.1482 0.0710 0.0710 1.1001 1.0282 0.0710 0.0710 0.0710 0.0710 1.0000 0.5383 0.8454 0.7033 0.0710 0.0710 0.0710 0.0710 0.0710 0.0710 0.0710 0.5323 0.6511 1.3015 0.9215 1.0155 0.0710 0.0710 0.0710 0.0710 0.0710 0.5670 0.0710 0.0710 0.0710 0.0710 0.0710 0.0710 oleoylcarnitine (C18:1) 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 1.2337 0.4896 0.5769 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.7238 0.0671 0.0671 0.4218 0.0671 0.4693 0.3431 1.0000 1.0468 0.5633 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 0.0671 ornithine 1.1282 1.8752 1.0000 0.9469 1.0716 1.0718 0.8174 0.9589 0.6436 0.2959 0.3808 0.3374 1.2298 0.9293 1.2519 1.5008 1.1958 1.3647 0.7258 1.0305 1.0869 0.7940 1.2329 0.7980 0.8915 1.1116 0.9747 0.8539 0.3755 0.5470 0.2699 0.5420 0.8908 0.6206 0.6911 0.7035 0.3064 1.0000 1.4924 0.9059 orotate 0.9042 2.7573 2.5199 1.5336 0.1650 0.3053 0.2659 0.3292 0.0034 0.0014 0.0039 0.0041 1.7456 2.3999 2.8468 1.6617 0.0651 0.0256 0.0310 0.0388 2.1615 2.5593 1.8363 1.6077 1.8205 2.2542 1.0510 1.8835 0.0039 0.0022 0.0053 0.0086 8.7062 9.0109 9.2313 7.9391 0.2273 0.9490 1.0704 0.7755 orotidine 0.8251 1.2457 0.6870 0.7958 0.3001 0.3866 0.3489 0.3126 1.8711 0.9850 1.0546 0.9671 1.4650 1.2959 1.8004 1.6633 0.6850 0.6498 0.3616 0.4333 1.2064 1.0758 1.0738 0.9932 1.0068 0.8848 0.8754 0.7752 0.9346 1.5623 0.7958 1.6370 2.2461 1.9395 2.0039 2.1759 0.4744 1.2873 1.4473 1.1971 palmitoylcarnitine (C16) 0.5331 0.2459 0.2623 0.5114 0.5297 0.4756 0.8028 0.5677 1.7826 2.4052 1.6400 1.1232 0.1633 0.1633 0.4088 0.1633 0.1633 0.1633 0.2935 0.3150 0.5123 1.3957 1.0000 0.5771 1.4167 0.8283 1.4412 1.2615 2.0799 2.0477 2.1270 1.6801 0.5114 0.1929 0.1633 0.3338 0.2141 0.3036 0.4154 0.5052 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 2.1235 2.8893 1.8018 1.9735 1.1065 1.6285 1.5978 1.3660 0.9864 0.5429 0.7250 0.6225 1.6508 1.5415 2.9125 2.0255 1.3276 1.8009 1.4761 1.5483 1.5969 1.2632 1.7552 1.3206 1.3200 1.3187 0.9768 1.1253 0.4806 0.6901 0.4494 0.9265 1.1270 0.8579 1.0136 0.9340 0.2852 0.7843 0.7849 0.7183 palmitoyl sphingomyelin (d18:1/16:0) 1.2729 1.7433 1.2413 1.4072 0.8771 1.2415 1.2654 1.2066 1.0313 0.6614 0.8784 0.7965 0.9496 0.7607 1.3306 1.1931 1.2761 1.3947 1.0738 1.3449 1.3029 1.1344 1.6420 1.1474 1.1944 1.2840 1.0969 1.0615 0.6569 0.8831 0.6696 1.3087 0.8943 0.7575 0.9687 0.7914 0.2556 0.6748 0.8216 0.6444 pantetheine 0.3932 0.3932 0.9757 0.3932 0.3932 1.6241 0.3932 1.0412 0.3932 0.3932 0.3932 0.3932 1.0000 0.8757 0.8811 1.9765 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.3932 0.6897 0.4520 0.7435 0.5466 0.9313 0.3932 0.3932 0.3932 0.3932 1.8993 3.1003 2.3001 1.2338 0.5766 2.2759 2.9938 1.5714 pantothenate 1.5523 2.0259 1.4016 1.3265 0.9189 1.2139 1.0389 0.9983 1.7133 0.8293 0.9322 0.8850 1.6021 1.1115 1.6744 1.6174 0.9691 0.8842 0.4401 0.6484 1.0447 1.1445 1.4043 1.0017 0.6549 0.6563 0.6828 0.6181 0.8930 1.3578 0.6476 1.4558 1.2066 0.9782 1.1909 1.1179 0.1076 0.2810 0.4715 0.2926 penicillin G 1.7954 3.2880 1.5874 1.0701 1.3344 0.7763 0.7171 0.7773 0.0185 0.0144 0.0414 0.0458 0.9372 0.6354 0.8401 1.1133 1.1921 1.4027 0.7633 1.0191 1.3810 0.9186 1.9719 0.9762 0.7984 1.1584 0.7915 0.5668 0.0281 0.0177 0.0221 0.0531 1.3223 0.7490 0.9809 1.1248 0.2144 0.9116 1.3715 0.7304 phenol red 1.3513 2.5645 1.0438 0.7240 1.6177 0.9562 0.8917 1.1374 0.1865 0.1865 0.1865 0.1865 0.5324 0.4584 0.6409 0.7861 1.7797 2.2763 1.4634 2.0224 0.7710 0.4751 1.2398 0.6082 0.7536 0.9476 0.7511 0.4391 0.1865 0.1865 0.1865 0.1865 0.8148 0.3656 0.6014 0.8062 0.1865 0.9187 1.3416 0.7303 phenylacetylglycine 0.8616 1.2274 0.6238 0.7754 0.9169 1.1195 1.0690 0.9851 0.2101 0.2101 0.2395 0.2158 1.0524 0.8908 1.2819 1.3081 1.7675 2.4336 1.5220 1.7810 0.9041 0.7745 1.2491 0.8066 1.0628 1.0014 1.0040 0.8116 0.2101 0.2101 0.2101 0.3183 1.0958 0.8506 1.0191 1.0000 0.5305 1.5163 1.7237 1.5451 phenylalanine 0.7367 1.3759 0.7805 0.7051 0.6174 0.8774 0.6289 0.8833 2.7199 1.6086 3.0505 3.4614 0.7775 0.6652 0.8933 1.1742 0.8503 1.0264 0.5232 0.8510 1.0171 0.7029 1.1869 0.8443 0.9104 0.9829 0.9012 1.2436 3.0675 2.5371 1.9871 4.0173 0.8035 0.8668 0.7685 0.7131 0.2602 0.7831 1.0968 0.8849 phenylalanylalanine 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 2.3157 4.2407 5.3966 6.9822 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.2260 0.9078 0.5775 0.6145 1.0922 3.4130 1.9532 6.3753 5.1316 0.2260 0.3012 0.2260 0.2905 0.2260 0.3113 0.7189 0.6413 phenylalanylglycine 0.5812 1.0264 0.6316 0.7370 0.3536 0.4678 0.3536 0.5452 8.4582 6.0756 12.3487 12.2430 0.5386 0.5090 0.7444 1.0757 0.6883 0.5328 0.4736 0.6931 0.8399 0.9957 1.7290 1.1847 1.9225 1.5221 1.9863 3.8111 9.1433 8.6457 8.4841 17.0500 0.6557 1.0043 0.6981 0.7661 0.4038 1.1147 1.3007 1.6542 phosphate 1.3228 2.5187 0.9159 1.3506 0.9621 1.2730 0.9630 1.0386 2.4932 0.6918 0.9271 1.0352 1.0154 0.7624 0.9006 0.9846 1.6682 1.9980 0.9637 1.3253 1.0772 0.8080 1.7583 0.9198 0.8199 0.8870 0.7932 0.6376 0.8300 2.0840 0.8808 2.5372 0.7166 0.6187 0.8913 0.7523 0.2327 0.6229 0.9143 0.6089 phosphoethanolamine 1.1961 1.5631 0.9930 0.9951 0.2287 0.2889 0.2765 0.2323 5.7436 3.4339 3.3939 3.4827 0.7449 0.6890 1.0261 0.8824 0.2221 0.3766 0.2323 0.2283 1.1427 1.0606 1.5210 1.0049 0.1951 0.1987 0.2753 0.1901 3.5405 5.1502 2.9322 4.7837 0.3894 0.2677 0.4130 0.4012 0.0093 0.0198 0.0163 0.0213 phosphopantetheine 0.1698 2.9858 1.4453 0.1698 0.1698 1.9746 0.1698 1.3781 0.1698 0.1698 0.1698 0.1698 0.8068 0.9770 0.1698 1.5080 0.1698 0.1698 0.1698 0.1698 0.1698 0.1698 0.1698 0.1698 0.5249 1.0007 0.1698 0.8900 0.1698 0.1698 0.1698 0.1698 0.8287 1.6509 1.2060 0.5172 0.1698 0.9993 1.2440 0.6410 pipecolate 0.7484 0.1525 0.1766 0.1525 0.1525 0.1525 0.1525 0.1525 2.3727 1.0664 1.1629 1.1239 0.7138 0.1525 0.8734 0.5728 0.1525 0.1525 0.1525 0.9336 0.8957 0.5030 1.2845 0.1525 0.1525 0.1525 0.1525 0.1680 1.3986 3.0847 0.6689 1.9730 0.6860 0.3266 0.5867 0.2016 0.1525 0.2789 0.3717 0.2959 proline 0.8361 1.2917 0.7869 0.8247 0.7688 1.0868 0.9613 1.0763 0.9602 0.4839 0.7262 0.8183 1.2433 0.9973 1.4912 1.6077 1.0955 1.1216 0.7310 0.8565 0.7908 0.6080 0.7637 0.5966 0.8739 0.8660 0.7505 0.8073 0.8416 0.9087 0.4721 1.0225 1.1510 1.0051 1.0280 1.0027 0.5220 1.4565 2.0549 1.5386 propionylcarnitine (C3) 1.1893 1.6858 0.8330 1.0700 0.6572 0.9132 0.9016 0.8948 11.0169 5.6000 5.7248 6.3799 1.0195 0.8044 1.2385 0.9306 0.6961 0.8618 0.7085 0.6897 1.1283 0.8371 1.3177 0.7584 0.9153 0.7791 0.9805 0.8830 6.0657 12.3375 5.6675 10.5188 0.8021 0.6366 0.8896 0.9751 0.1188 0.2850 0.3285 0.3653 pseudouridine 0.4909 1.4989 0.7519 0.4882 0.3466 0.7569 0.6214 0.7353 2.4016 0.9970 1.7920 1.6842 1.1057 0.8650 1.0921 1.5016 0.9813 1.2887 0.6492 1.0383 0.6369 0.3466 0.8071 0.6997 0.5646 0.7484 0.5534 0.6603 1.9189 2.3469 0.9924 2.8961 0.9635 1.2765 1.3397 1.0030 0.3914 1.3535 1.7787 1.2545 pterin 1.1742 1.9334 1.0039 1.1269 0.6469 0.7465 0.8183 0.6077 1.4278 0.6800 0.6075 0.8294 0.8210 0.9469 1.4225 0.8845 1.0033 1.2629 0.7449 0.4616 1.1357 1.1049 1.3117 0.9577 1.0000 0.8344 0.6751 0.4616 0.7499 1.3802 0.6630 1.2605 1.4236 0.9015 1.0202 1.1990 0.4839 1.2778 1.3660 1.0910 putrescine 1.3876 2.2205 1.1803 1.1316 0.3106 0.4336 0.3102 0.3524 0.7425 0.2286 0.2847 0.3237 0.9976 0.9262 1.3998 1.2949 0.4997 0.5367 0.2518 0.3425 3.5138 3.0699 3.7341 2.7854 1.6914 2.0178 2.5925 1.7321 0.4802 0.5806 0.3122 0.7470 2.6971 2.2475 2.4771 2.2613 0.1715 0.6765 1.0024 0.5467 pyridoxamine 0.4342 1.1961 0.7523 0.4342 0.4342 0.8947 0.8754 0.9442 0.4342 0.6480 0.8945 1.1758 0.8605 0.6063 0.9656 1.4513 1.8863 1.3715 1.2141 1.9083 0.7888 0.7167 0.9564 0.5758 0.6475 0.8586 1.0344 1.0355 1.3031 0.6784 0.4342 1.1057 2.4568 2.2691 2.6181 1.9861 0.5605 2.2517 3.2174 1.6192 pyridoxamine phosphate 0.8914 1.6970 0.9592 0.9215 0.7579 1.5093 1.1427 1.0902 0.8668 0.5655 0.6435 0.7175 1.1848 0.6958 1.2097 1.4379 1.4464 1.3447 0.8622 1.5387 1.1355 1.0721 0.8974 0.8051 1.2111 1.2052 0.9878 1.2361 0.6604 0.8351 0.4431 0.6429 1.3174 0.9642 1.1422 1.0362 0.3495 1.0122 1.0822 0.7723 pyridoxine phosphate 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 0.3005 1.5738 1.1457 0.4846 1.0428 0.3005 0.9572 1.0623 0.8577 pyridoxine (Vitamin B6) 0.1717 0.1717 0.4641 0.1717 0.6975 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.4029 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 0.1717 1.5848 1.1539 0.9871 1.2416 0.1717 0.7612 1.0000 0.6213 pyruvate 1.2056 1.8816 1.0618 1.3725 0.6733 0.9541 0.9866 0.8675 0.0430 0.0519 0.0490 0.0430 0.7219 0.6412 1.0035 0.8709 0.5721 0.5820 0.3699 0.3856 1.7009 1.5934 1.7301 1.3260 1.3579 1.2295 1.0815 1.1066 0.0430 0.0780 0.0430 0.0684 1.3741 1.0716 1.1093 1.1707 0.3950 0.9965 1.3875 1.0287 quinolinate 1.4373 2.1393 1.2248 1.1966 0.7725 1.1589 0.7613 1.0192 1.5448 0.3751 0.7610 0.4644 1.0736 1.0045 1.3542 1.3751 0.9408 1.3536 0.7085 0.8709 1.5841 1.2286 1.7326 1.2835 0.9256 1.0103 1.0052 0.8843 0.5067 0.8123 0.5437 1.1043 0.9130 0.7698 0.9034 0.9291 0.2013 0.5307 0.7511 0.6081 ribitol 0.3248 0.3248 0.7556 0.3248 0.3248 0.3248 0.7702 0.7371 0.3248 0.3248 0.3248 0.3248 1.6516 1.3483 2.2095 1.7625 0.3248 0.3248 0.3248 0.6224 1.0266 0.7784 1.2138 1.0035 0.9801 0.9531 0.9965 0.9084 0.3248 0.3248 0.3248 0.3248 1.6380 1.5396 1.1591 1.2726 0.3248 0.8247 1.0734 0.8062 riboflavin (Vitamin B2) 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.7959 1.1902 1.0987 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.3660 0.7777 1.0000 1.2444 0.7146 0.3660 1.0436 0.7981 1.0503 ribonate 0.6026 1.0000 0.6954 0.5268 0.5534 0.8886 0.5910 0.5532 1.5530 0.5754 0.5731 0.5227 0.6498 0.4807 0.7722 0.8383 0.9244 0.6713 0.5635 0.7205 1.2926 0.8098 1.2189 1.1898 1.9862 1.5997 1.4072 1.7774 0.4580 1.0690 0.6278 1.3731 1.2338 1.2976 1.2702 1.1171 1.0282 2.3501 2.8071 2.0953 ribose 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.5471 0.2223 0.8917 0.5706 0.6656 0.2223 1.0052 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.2223 0.7933 1.5648 1.9550 1.6075 0.9948 2.0400 3.9936 1.9192 ribulose/xylulose 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.8271 0.7832 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 0.2931 1.7537 1.1914 1.4271 1.0458 0.2931 0.8962 1.6534 0.9542 S-(1_2-dicarboxyethyl)glutathione 0.8302 0.3317 0.7401 0.9907 0.3317 1.0069 0.7463 0.3317 0.3317 0.3317 0.3317 0.3317 1.0387 0.9106 1.4495 1.5373 0.3317 0.3317 0.3317 0.3317 1.1400 0.9830 0.3317 0.8632 0.8729 0.9099 0.9438 1.1277 0.3317 0.3317 0.3317 0.3317 1.5913 1.3503 1.5903 1.4014 0.3317 1.0981 1.5314 0.9931 S-1-pyrroline-5-carboxylate 0.2932 0.2932 0.9480 0.2932 0.2932 0.2932 1.2939 0.2932 0.2932 0.2932 0.2932 0.2932 1.8583 0.9775 2.1717 2.3895 0.2932 0.2932 0.9562 0.2932 1.1374 0.2932 0.2932 0.2932 0.2932 0.7302 0.8394 0.5993 0.2932 0.2932 0.2932 0.2932 1.4757 0.8467 1.0605 0.9233 0.5023 1.2768 1.4693 1.0225 (S)-3-hydroxybutyrylcarnitine 0.9770 1.4727 0.8480 0.9466 0.6089 0.7839 0.7177 0.6495 3.4910 1.5947 1.9986 2.2931 0.5699 0.5072 0.8544 0.7130 0.5538 0.6405 0.4122 0.4601 1.1105 1.0230 1.7131 0.7434 0.5742 0.5684 0.5456 0.4851 2.8785 6.0451 3.3411 6.4244 1.3540 1.1605 0.9082 1.0806 0.1658 0.3673 0.4316 0.4213 S-adenosylhomocysteine (SAH) 0.8028 1.3345 0.9432 1.0000 0.2731 0.8064 0.7352 0.7824 0.2731 0.2731 0.5458 0.4649 1.7362 1.5084 1.9471 2.1651 1.8265 1.8414 1.2207 1.6702 1.0598 0.8454 1.0346 0.9032 0.9918 0.8918 0.8525 0.8282 0.3705 0.5415 0.2731 0.6719 1.9478 1.5467 1.9642 1.7682 0.5438 1.5043 1.9787 1.4603 S-adenosylmethionine (SAM) 0.9635 1.4030 0.8634 1.0074 0.4129 0.5594 0.4831 0.5289 0.7680 0.3584 0.4244 0.4171 2.2766 1.5799 2.4230 2.8466 1.0294 0.9926 0.7243 0.8850 1.0681 1.0818 1.1128 0.8491 0.7852 0.7944 0.8039 0.7436 0.4440 0.5960 0.3141 0.6083 1.6830 1.2918 1.5023 1.5192 0.3849 1.2764 1.3824 1.1342 sedoheptulose 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.6396 0.4526 0.5744 0.9856 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.2842 0.3408 0.2842 0.2842 0.2842 0.2842 1.1206 1.0144 1.1374 1.1382 0.4281 1.1994 1.5846 1.1526 sedoheptulose-7-phosphate 0.2963 1.0360 0.8503 0.6149 0.2305 0.7685 0.7680 0.8123 0.2305 0.2305 1.1193 1.0061 2.5494 2.1810 3.5485 3.7033 1.0059 0.9850 0.9941 1.2316 0.9709 0.6412 0.7783 0.6351 1.2243 1.3446 0.9881 1.0165 1.6229 0.7268 0.6581 1.1161 1.7622 1.0096 1.3133 1.3027 0.3650 0.7317 1.0638 0.8901 serine 0.7389 1.2044 0.6639 0.6867 0.5530 0.7054 0.5018 0.6278 1.9681 1.0625 1.7723 2.0104 1.1430 0.8045 1.1133 1.4561 1.1162 1.1417 0.5453 0.9866 0.8154 0.6903 1.0360 0.7001 0.6142 0.5985 0.6656 0.7685 1.8993 1.8026 1.0384 2.3236 0.6512 0.6147 0.7498 0.5952 0.1274 0.3646 0.5210 0.4209 serotonin 1.0192 0.9808 2.2810 1.9264 0.2405 0.0472 1.1230 0.9552 15.0671 4.2624 14.7042 9.0508 0.8928 0.5077 2.7337 1.9102 0.4429 0.0472 1.8770 1.5802 0.5343 0.6468 1.5714 0.7554 0.2275 0.2097 0.5840 0.4794 7.3613 7.9953 11.8050 16.5228 0.3861 0.4453 1.3042 1.1641 0.0472 0.2150 0.5869 0.5680 S-lactoylglutathione 1.4555 1.5771 1.3356 0.9254 0.9153 0.9314 0.8284 0.6828 0.1178 0.1232 0.1178 0.1743 2.1265 1.8085 2.6207 2.7483 1.4073 1.3066 0.5751 0.9076 1.5935 1.0239 1.7369 1.1366 0.9761 1.5952 0.8673 0.8287 0.1955 0.2653 0.1263 0.2226 1.3995 1.2777 1.5381 1.6539 0.3174 1.0549 1.6459 1.1029 S-methylcysteine 0.4602 1.4358 0.6834 0.1879 1.1307 0.1879 0.9765 0.1879 0.1879 0.8580 1.7160 2.0059 1.4108 0.6036 0.9307 0.1879 0.1879 0.1879 0.1879 0.1879 1.8125 0.1879 1.4383 0.4293 0.8534 0.9756 1.1277 1.1050 0.1879 1.6985 1.0001 1.2247 0.8166 0.5325 0.4969 1.2580 0.1879 1.0000 1.1985 0.5224 S-methylglutathione 1.0000 0.7642 0.6567 1.1700 0.3810 0.4037 0.3810 0.6332 1.0024 0.5144 0.7513 0.5105 1.9539 0.9553 2.0624 2.1736 1.2558 0.5738 0.5585 1.0224 0.6879 1.3096 0.7498 0.9913 1.2927 0.9554 1.2061 1.2459 0.6456 0.7469 0.4758 1.0963 1.5610 1.3720 1.4870 2.0162 0.4019 1.4175 1.3462 1.5193 S-nitrosoglutathione (GSNO) 0.4221 0.4221 0.5303 0.4221 0.4221 0.4221 0.4221 0.4221 0.4221 0.4221 0.4221 0.4221 0.7156 0.9661 1.0093 1.2186 0.4221 0.4221 0.4221 0.4221 0.6393 0.4221 0.4221 0.4221 0.8706 1.2820 0.8501 1.2550 0.4221 0.4221 0.4221 0.4221 1.6820 1.2095 0.9843 0.9907 0.4221 1.1272 2.0504 1.1720 spermidine 0.8958 0.9823 0.9439 0.9532 0.5103 0.6802 0.7532 0.8050 0.9356 0.5480 0.7879 0.5364 2.2519 1.7555 2.8437 3.0977 1.2293 0.7951 0.5408 0.7043 1.9525 1.8642 1.5564 1.3080 2.0967 1.9881 1.8674 1.9987 0.8523 0.8152 0.5199 1.0934 4.2742 3.3777 3.7764 3.3693 0.9760 2.8693 3.6462 2.6214 spermine 0.9385 0.9752 1.0882 1.0741 0.5941 0.7790 0.9303 0.9109 1.0222 0.7744 0.9778 0.7727 1.7635 1.4171 2.4962 2.4633 0.8470 0.6293 0.4772 0.5305 1.4880 1.3359 1.2364 1.0335 1.8202 1.6276 1.4193 1.6680 1.0874 1.0337 0.6135 1.2007 2.3863 1.8945 1.8854 1.9526 0.7070 1.9303 2.2580 1.9691 sphinganine 1.1349 1.5005 0.9864 1.0034 0.4939 0.7160 0.6431 0.5357 1.7105 0.9966 1.3512 1.6031 1.1030 0.9171 1.7347 1.4405 1.6965 2.3748 1.8635 1.8889 0.3405 0.2478 0.4046 0.3677 0.3329 0.2694 0.2871 0.2905 1.0883 1.3636 1.3653 2.2331 0.7567 0.5863 0.6275 0.5773 0.2628 0.5410 0.7338 0.6235 sphingomyelin (d17:1/16:0_ d18:1/15:0_ d16:1/17:0)* 0.7998 1.3060 0.7804 0.9287 0.5214 0.9288 0.9549 1.0015 0.6500 0.4545 0.6958 0.5663 0.6247 0.5355 1.1243 0.9824 1.2516 1.0580 0.8797 1.0083 1.4535 1.2037 1.8129 1.2183 1.8644 1.6870 1.6629 1.6207 0.4025 0.6053 0.5791 0.8799 1.2631 0.9985 1.3324 1.0845 0.4813 1.2105 1.5790 1.0524 sphingomyelin (d18:0/18:0_ d19:0/17:0)* 1.3414 1.5798 1.2179 1.3735 0.8745 0.9960 1.1665 1.1313 0.7556 0.4265 0.6592 0.5482 1.1662 0.9599 2.5566 1.4588 0.8810 0.9457 1.2401 1.0632 1.2446 1.1025 1.5749 1.3158 1.1871 1.1550 0.7980 1.0835 0.5471 0.6952 0.5422 1.0040 1.0195 0.6821 0.8805 0.8149 0.2454 0.6805 0.7249 0.6325 sphingomyelin (d18:1/14:0_ d16:1/16:0)* 0.9310 1.1940 0.8635 1.1531 0.6791 1.0000 0.8849 0.9467 0.1180 0.1180 0.1223 0.1305 0.6543 0.5395 1.0063 0.9457 1.0560 0.9101 0.7948 1.1662 1.4484 1.1448 1.8235 1.1165 1.6449 1.6038 1.4997 1.4571 0.1219 0.1180 0.1180 0.2133 1.1852 0.9645 1.2041 0.9656 0.4772 1.1630 1.5712 1.0139 sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0) 0.9825 1.5324 1.0246 1.2066 0.6560 1.2895 1.1199 0.9130 0.2288 0.6441 0.9664 0.7224 0.7994 0.6287 1.2733 1.0098 1.0079 0.7344 0.9729 1.4171 1.0996 1.3374 2.0664 1.4053 1.0000 1.3483 1.2903 1.2408 0.4401 0.9433 0.6112 0.8017 1.0070 0.8469 1.2098 1.1189 0.2288 0.6762 0.7107 0.7074 sphingomyelin (d18:1/18:1_ d18:2/18:0) 0.2535 1.7574 0.6488 0.7695 0.6369 0.2535 0.6221 0.8742 0.6504 0.2535 0.3926 0.4667 0.8560 0.5609 0.6366 0.4922 0.2535 1.5034 1.2818 1.0479 1.3833 1.3558 1.5172 1.5340 1.6286 1.8542 1.4271 1.2890 0.2535 0.2535 0.3603 0.2535 1.1475 0.7583 1.3341 1.1677 0.4174 1.0717 1.3982 0.9521 sphingomyelin (d18:1/19:0_ d19:1/18:0)* 0.1250 0.1250 1.2104 1.3396 0.1250 0.1250 1.0459 0.8934 0.1250 0.9437 1.5897 1.2687 0.5364 0.7150 1.3842 1.1818 0.1250 1.4930 0.1250 0.1250 0.9541 0.1250 2.5025 1.3843 0.6780 1.2243 0.9229 0.8075 0.1250 0.1250 0.1250 0.1250 0.9044 0.7975 1.1657 1.2800 0.1250 0.1250 0.5653 0.3510 sphingomyelin (d18:1/20:0_ d16:1/22:0)* 1.0471 1.2850 0.9112 1.0260 0.7384 1.0000 0.9675 0.9124 2.1225 0.9738 1.4084 1.1986 0.7473 0.5909 1.1390 0.8646 0.8543 0.7845 0.7428 0.8495 1.1726 1.0010 1.6738 1.2143 1.1648 1.2201 1.0961 1.1002 1.0328 1.4202 1.3073 2.3481 0.8673 0.7079 0.9152 0.8238 0.2279 0.6980 0.7080 0.6011 sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)* 1.2837 1.6448 0.9923 1.2568 0.8710 1.2034 1.1838 0.9471 1.1380 0.6542 0.9261 0.7041 0.8559 0.7093 1.2200 0.8523 1.4223 1.3847 0.9990 1.1524 1.5325 1.5314 1.9042 1.3937 1.4465 1.5806 1.2139 1.2585 0.5359 0.9915 0.5110 1.1597 0.8723 0.8499 1.0010 0.8553 0.2372 0.7714 0.7919 0.6327 sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)* 1.8007 2.2861 1.3986 1.6549 0.7619 1.1336 0.9672 0.8313 2.3435 1.4690 2.1097 1.6746 0.9049 0.8590 1.3310 1.3115 0.4744 0.8281 0.7441 0.6680 1.5401 1.6624 1.9328 1.4573 0.8402 1.0000 0.7262 0.8263 1.3544 2.1284 1.2803 2.4309 0.8520 0.7266 0.7792 0.7802 0.1208 0.3395 0.1208 0.2787 sphingomyelin (d18:1/24:1_ d18:2/24:0)* 1.1010 1.4894 0.9445 1.1350 0.8286 1.2011 1.1098 1.1683 1.5941 0.9343 1.2572 1.0522 0.6906 0.6484 1.0197 0.9062 0.9732 1.1609 0.7987 0.9803 1.3310 1.2174 1.6910 1.2512 1.4288 1.4170 1.2381 1.2709 0.8780 1.2895 0.9319 1.8058 0.7633 0.6450 0.7477 0.6641 0.1944 0.5612 0.6406 0.4821 sphingomyelin (d18:2/16:0_ d18:1/16:1)* 0.8630 1.1798 0.7661 1.0092 0.6388 0.8460 0.9542 0.8795 0.3757 0.2541 0.3917 0.3070 0.6343 0.5296 1.0000 0.8290 1.4114 1.1690 0.9964 1.4619 1.5789 1.3308 2.0073 1.2885 1.7229 1.7520 1.5498 1.5304 0.2675 0.3834 0.3646 0.5516 1.3991 1.1544 1.4770 1.1893 0.5875 1.3615 1.7873 1.2342 sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)* 0.7811 0.9876 0.9141 1.1715 0.8747 1.2882 1.0867 1.1718 0.5096 0.6912 0.6763 0.5853 0.5765 0.5455 0.9824 0.7074 1.0559 1.1007 0.8200 1.1499 2.0441 1.9375 2.4712 1.7498 2.2176 2.4613 2.2348 2.0623 0.3552 0.8692 0.4562 0.7206 1.1652 1.1328 1.3310 1.0811 0.2920 0.9097 1.0124 0.7996 sphingomyelin (d18:2/24:1_ d18:1/24:2)* 1.2277 1.7881 1.1245 1.2910 0.6423 1.0242 1.0415 0.9638 1.9898 1.1531 1.5192 1.2991 0.7510 0.7046 1.2143 0.9910 0.6868 0.9434 0.6699 0.7722 1.2857 1.2190 1.6184 1.2228 0.9008 1.0090 0.8195 0.8264 1.1480 1.7213 1.0362 1.9973 0.7379 0.6458 0.6920 0.6454 0.1369 0.4004 0.3904 0.3437 sphingomyelin (d18:2/24:2)* 0.9557 0.3953 1.5093 0.9275 0.3953 0.3953 0.6422 0.3953 0.3953 0.3953 0.3953 0.3953 0.3953 0.5032 1.3820 0.9649 0.3953 0.3953 0.3953 0.3953 0.3953 1.9837 2.5949 1.4263 0.3953 1.1773 1.1049 1.0720 0.3953 0.3953 0.3953 0.3953 1.2987 0.7993 1.0000 0.9327 0.3953 0.3953 0.4347 0.3953 sphingosine 0.5188 0.6150 0.3724 0.5637 0.5076 0.6762 0.6690 0.7175 2.5710 1.5964 2.6014 2.7237 0.5491 0.4138 0.6492 0.6481 1.6870 1.7768 1.1466 1.6028 0.5616 0.4714 0.7617 0.5878 0.4982 0.5080 0.4716 0.4649 1.7992 2.3698 2.4240 4.2311 1.4056 1.2872 1.5292 1.2879 0.2174 0.5609 0.6745 0.5862 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 1.4214 1.6174 1.7138 1.9817 0.2041 1.6224 2.1625 2.2034 0.2041 1.2476 0.6754 0.2041 0.2041 0.5046 0.8876 0.4859 0.9165 0.2041 0.9709 1.4730 0.7085 0.3222 1.1419 0.2041 1.4047 1.6389 1.0966 1.4387 0.4888 0.5922 0.2041 0.2041 0.2041 0.4770 0.2041 0.2041 0.3019 0.7260 1.0291 0.5899 stearoylcarnitine (C18) 0.2649 0.2649 0.2649 0.2649 0.2649 0.2649 1.0848 0.2649 4.2484 6.6878 4.8704 3.0649 0.2649 0.2649 0.7820 0.5422 0.2649 0.2649 0.2649 0.6829 0.6308 1.2830 1.0369 0.8861 0.8543 0.6934 1.0000 0.8187 4.4025 4.1402 6.1549 3.9930 0.6054 0.4428 0.2649 0.4333 0.2649 0.5713 0.7304 0.4766 stearoyl sphingomyelin (d18:1/18:0) 1.0202 1.3830 0.9095 1.1478 0.7391 1.0670 1.0254 1.0320 1.5831 0.7828 1.1790 0.9939 0.7023 0.5931 1.0393 0.8794 0.8908 1.0183 0.8750 0.9987 1.2009 1.1111 1.5542 1.1164 1.1548 1.1526 1.0434 1.0756 0.9657 1.3919 1.0000 1.9824 0.8803 0.7073 0.8400 0.7460 0.2070 0.5698 0.5860 0.5541 succinylcarnitine (C4-DC) 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 0.5990 sulfate* 1.3196 2.2778 0.9546 1.1993 1.3932 1.4737 1.0119 1.1138 1.1268 0.3335 0.4969 0.4391 0.7846 0.5858 0.7624 1.0173 1.6759 2.1595 1.0436 1.4660 0.9881 0.7373 1.7893 0.7876 0.8180 0.9345 0.7990 0.6586 0.4559 0.9379 0.5047 0.8052 0.6981 0.5483 0.7569 0.6412 0.2425 0.7178 1.0170 0.6638 taurine 0.5653 0.6614 0.5155 0.4748 0.3437 0.3968 0.4146 0.4271 4.3388 2.5229 2.7406 2.6531 0.5620 0.4913 0.8260 0.7472 0.7255 0.5669 0.4178 0.5246 1.1451 1.0183 1.2695 1.0189 0.9826 0.8791 0.9887 0.8883 2.8304 3.9137 2.4945 3.8620 1.1587 0.9097 1.0113 0.9572 0.3482 0.8967 1.0188 0.9239 thiamin (Vitamin B1) 0.3184 0.5211 0.9844 0.3184 0.3184 0.3184 0.3184 0.6038 0.4049 0.5439 1.0156 1.1226 1.0611 1.2567 0.9223 2.2095 0.4341 0.4408 0.3184 0.6554 1.2967 0.6636 0.8918 1.3800 0.7981 1.0836 0.8444 1.7611 1.5469 0.7183 0.3184 0.3184 1.4302 1.9675 1.7873 0.9147 0.6863 2.5970 3.6147 1.3700 thioproline 1.0099 1.8630 1.0760 1.0724 0.9203 1.1756 0.9489 1.0807 0.7659 0.4692 0.5641 0.6094 1.5261 0.9801 1.5465 1.5472 1.3963 1.4483 0.9408 1.2471 0.9594 0.8158 1.2284 0.6389 0.9919 0.9610 1.0444 0.9350 0.6304 0.8641 0.4659 0.9687 1.6857 0.9580 1.0081 1.3262 0.2511 0.6252 1.1332 0.6875 threonate 0.7661 1.0182 0.6046 0.5276 0.1111 0.0852 0.1403 0.0925 15.8173 6.4708 7.9629 7.5703 0.6678 0.6773 0.9650 0.5932 0.2534 0.1471 0.1268 0.0926 1.6773 1.3917 1.8043 1.6418 0.4481 0.5777 0.4426 0.4984 7.3105 12.9845 5.4096 13.3240 1.0960 0.9818 0.9382 1.0427 0.1360 0.2291 0.3632 0.3344 threonine 0.8984 1.4231 0.8122 0.8065 0.7220 0.9538 0.7022 0.8542 2.1821 1.2401 1.7933 2.3434 1.0088 0.8326 1.0505 1.3358 0.9912 1.1417 0.5686 0.8764 1.1198 0.8309 1.1621 0.8479 0.8810 0.9803 0.9258 0.9809 1.9922 1.8680 1.1695 2.5040 0.9879 0.8756 0.9390 0.8096 0.2161 0.6387 0.8198 0.6581 thymidine 0.8422 0.9488 0.8497 0.6947 1.0603 1.6565 1.4404 1.5588 1.9738 1.8418 3.4553 2.7918 0.4138 0.3493 0.5074 0.7905 1.1519 1.2397 0.6009 1.4378 1.7230 1.1041 1.7122 1.1946 0.7813 1.0153 1.0338 1.1792 2.6811 2.3204 4.0144 4.5908 0.9814 0.8032 1.0376 0.8037 0.3482 1.1148 1.4773 0.9847 thymidine 5^-monophosphate 0.5277 0.2429 0.8943 0.6848 0.6521 0.2429 1.1987 1.2583 0.2429 0.2429 0.5879 0.2429 0.7009 0.7179 1.2779 2.0977 1.3474 1.6041 1.0184 1.0128 1.9672 1.5700 0.9265 0.7422 1.7134 1.1222 1.6518 1.2554 0.9599 0.2429 0.2429 0.2429 0.5021 0.3098 0.4548 0.5706 0.2429 0.9872 1.0942 0.8675 trans-4-hydroxyproline 1.2290 1.7159 0.9264 1.0913 1.0300 1.2751 0.9208 1.1616 0.1928 0.0864 0.1135 0.1188 1.3174 1.0877 1.3538 1.6249 1.7378 1.7933 1.0281 1.3959 1.2296 0.9142 1.4121 0.9874 0.9851 1.0126 0.9846 0.8541 0.1004 0.1487 0.1093 0.1897 1.3907 1.0501 1.3333 1.1937 0.2746 0.7645 1.1375 0.7252 trigonelline (N^-methylnicotinate) 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 1.8214 1.0000 1.1334 1.0491 0.0986 0.0421 0.1283 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 1.0880 1.5248 0.8804 1.4464 0.0612 0.0836 0.0421 0.0421 0.0421 0.0421 0.0421 0.0421 tryptophan 0.7869 1.4331 0.8674 0.7518 0.6673 0.9001 0.6773 0.8558 1.9108 1.1446 2.1076 2.2658 0.9054 0.7070 0.9294 1.2521 1.0102 1.0871 0.5895 0.9087 1.1175 0.7838 1.1692 0.7847 0.8203 0.8384 0.7997 1.0160 2.1748 1.9697 1.3631 2.8439 0.8413 0.8399 0.8486 0.7038 0.2572 0.7467 0.9898 0.7710 tyrosine 0.8766 1.3783 0.8262 0.8684 0.7407 0.9338 0.6689 0.8781 2.0153 1.1274 2.3303 2.7166 0.9071 0.7182 0.9929 1.2125 1.0097 1.1112 0.5692 0.8754 0.9109 0.7704 1.0978 0.8229 0.9492 0.9115 0.8783 1.0781 2.5804 2.0902 1.2925 3.1302 0.8602 0.8346 0.7986 0.7358 0.2769 0.7865 1.0071 0.9126 tyrosylglycine 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.6277 0.8355 1.3214 1.7294 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.2433 1.1071 0.9067 1.0933 1.8601 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 0.1064 UDP-galactose 0.7287 0.2650 0.2650 1.0000 0.2650 0.2650 0.6461 0.5612 0.2650 0.2650 0.2650 0.2650 1.4638 1.2631 2.4495 2.1229 0.7522 0.2650 0.2650 0.4316 0.6570 1.0233 0.2650 0.5644 1.4537 0.9951 1.0064 1.3740 0.2650 0.2650 0.2650 0.2650 1.4909 1.1096 1.2552 1.1594 0.2650 0.4039 0.7057 0.4870 UDP-glucose 0.8409 0.9982 0.7367 1.0938 0.7388 0.7715 0.9534 0.8821 0.8899 0.5190 0.4871 0.7166 1.9174 1.6774 2.9939 2.6158 1.6042 0.3640 0.8137 0.9396 1.0018 1.1052 1.2299 0.7864 1.9546 1.3203 1.4897 1.5432 0.6113 0.9686 0.6289 0.3640 1.9222 1.3955 1.7005 1.6113 0.3640 0.6280 1.0302 0.8276 UDP-glucuronate 1.3827 1.7915 1.0736 1.4221 1.7080 3.0060 2.2578 2.2024 0.9428 0.7192 0.6362 0.7948 1.9112 1.9201 2.0217 2.2900 3.1028 5.0413 2.3506 3.0634 0.8817 0.8590 1.1867 0.7502 0.9924 0.8869 0.7971 0.9199 0.7144 0.9221 0.7274 1.0420 1.0812 0.8379 1.0076 0.8441 0.2797 0.7149 0.8197 0.7919 UDP-N-acetylglucosamine/galactosamine 1.0485 0.6425 1.2595 1.0000 1.3727 1.5611 1.2960 1.6941 0.3460 0.5781 0.4190 0.5480 1.3338 1.4343 2.4000 3.3275 2.0739 1.7870 1.2282 1.1102 0.8407 0.8546 0.8840 0.7457 0.8454 0.9526 1.0732 0.9539 0.8385 0.3109 0.4336 0.3109 1.1433 0.8870 0.8502 0.8212 0.4679 0.7347 1.2571 0.8772 uracil 0.1852 0.1852 0.6377 0.1852 0.1852 0.1852 0.1852 0.1852 1.0299 0.1852 0.6180 0.8587 0.9701 0.3611 1.7444 2.4741 2.5653 1.8424 0.1852 3.8156 0.1852 0.1852 0.1852 0.5550 0.1852 0.1852 0.1852 0.1852 0.4990 0.1852 0.1852 0.1852 0.8235 0.6093 1.9634 1.0749 0.1852 0.5416 3.3412 1.4069 uridine 0.6594 1.3796 0.9749 0.7039 0.4314 0.8698 0.5176 0.7562 1.7681 0.7307 1.1740 1.2859 1.2800 1.1059 1.3513 1.7842 1.3303 1.2798 0.6627 1.0251 1.3723 0.9268 1.3193 1.0942 0.9543 1.1786 0.9407 1.0291 1.3107 1.6090 0.7528 1.5698 1.5929 1.5407 1.6955 1.3114 0.3849 1.0290 1.4241 0.8904 uridine 3^-monophosphate (3^-UMP) 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.4238 0.7534 1.2041 1.9111 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.8119 0.2988 1.1881 1.1888 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 0.2988 uridine 5^-diphosphate (UDP) 1.7239 1.2454 0.5393 1.2814 1.0000 0.2874 0.8623 0.2874 2.3236 0.6543 0.6291 0.7217 0.4464 0.2874 0.8088 0.2874 0.8040 1.5610 0.7003 1.1861 0.5757 0.8303 0.2874 0.3721 1.1767 0.6824 0.8750 0.3902 0.2874 1.0909 0.2874 1.5568 0.2874 0.2874 0.2874 0.2874 0.2874 0.2874 0.2874 0.2874 uridine 5^-monophosphate (UMP) 1.2981 1.7521 0.8917 1.2664 0.8219 1.1306 0.9433 0.9110 1.6747 0.9412 0.7339 1.0173 0.9915 0.7694 1.2012 0.9839 1.3766 1.3170 0.7602 0.9551 1.2403 1.1807 1.7872 1.0770 1.0425 0.9165 1.1585 0.7321 0.7917 1.6143 1.0085 1.4042 1.1121 0.6523 0.9439 0.9595 0.1959 0.3520 0.5572 0.4277 valine 0.6712 1.2602 0.8333 0.5977 0.2453 0.7914 0.6849 0.7108 1.4751 1.0000 2.0981 2.7320 0.7419 0.6924 0.8643 1.0307 0.7895 1.0220 0.4167 0.6723 1.1974 0.6016 0.9504 0.8910 0.7768 1.0308 0.8246 1.0183 2.1804 1.5861 1.6531 2.9106 0.7982 0.8321 0.7121 0.7448 0.2453 0.8400 1.0138 0.8542 valylglycine 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 2.2898 3.4935 3.7699 5.8410 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0386 0.0852 0.0386 0.0810 0.2307 0.2471 0.2606 0.6446 2.9550 1.3554 4.5665 3.6954 0.0386 0.0386 0.0386 0.0386 0.0386 0.0546 0.0386 0.0386 X-11615 0.3819 0.7367 0.3292 0.0327 0.0327 0.0327 0.0327 0.0327 8.5921 3.8139 8.0935 9.0541 0.4310 0.3158 0.5846 0.4151 0.0327 0.0327 0.0327 0.0327 1.0000 0.8555 1.6214 1.0392 0.1680 0.2349 0.1427 0.0327 7.1516 7.9818 4.1235 8.3811 0.5079 0.3509 0.4299 0.5231 0.0327 0.1015 0.0327 0.1151 X-11677 0.3250 1.4503 1.3483 0.5091 0.3250 0.5419 0.3597 0.8313 4.1810 1.2221 3.0017 2.2844 0.9790 0.7877 0.4023 0.9475 0.3993 0.3250 0.3250 0.3348 1.0384 0.3250 0.9790 0.6775 1.0000 1.3610 0.8170 1.3422 2.9206 2.9192 1.5427 4.2730 0.3250 0.6390 1.0207 0.4959 0.3966 1.8188 2.3778 1.0659 X-12015 0.7447 1.3729 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 1.1712 0.9637 1.2855 1.2859 0.7447 0.7447 0.7447 0.7447 0.7447 0.8487 0.7447 0.8799 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 0.7447 1.2905 0.9565 1.0363 0.9117 0.7447 0.7447 0.7447 0.7447 X-12100 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.0536 0.1151 0.0536 0.0536 0.0536 0.0536 0.2444 0.3548 0.2476 X-12127 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.4541 0.5246 0.4541 0.5605 0.4541 1.4395 2.3114 1.5688 X-12462 0.9668 1.4553 1.0083 1.1478 0.6422 0.9024 0.9755 0.9917 0.1075 0.3858 0.6358 0.6152 1.7785 1.4064 2.1697 2.2676 1.3181 1.1882 0.5823 0.4524 1.0516 0.8895 1.1208 0.3656 1.2707 1.1633 1.2288 1.2114 0.5301 0.4562 0.4617 0.8624 2.5454 1.9254 2.0062 2.0584 0.3414 0.9268 1.3830 0.9565 X-14056 1.2695 1.6709 1.1897 1.3314 1.1026 1.3960 1.2614 1.2202 0.6730 0.4290 0.4544 0.4646 1.7292 1.5423 1.9848 2.1935 1.7300 2.0949 1.5016 1.8003 0.8693 0.8346 0.9763 0.7871 1.2597 1.0256 1.0237 0.9347 0.4195 0.5098 0.3300 0.6138 1.5647 1.0326 1.1572 1.4462 0.4559 1.0478 0.8799 1.4162 X-15161 0.8485 1.3730 1.0711 1.0807 0.6617 1.2530 1.0628 1.2190 0.7713 0.5016 0.5769 0.5466 1.8298 1.4393 1.4510 2.1896 1.2073 0.9979 0.5613 1.0021 1.3279 0.8577 1.7934 1.2742 1.0114 1.0534 0.9595 1.3062 0.5688 0.7217 0.2690 0.6754 1.4825 1.6134 1.8938 1.2079 0.2917 1.0797 1.6890 0.8503 X-17010 1.0108 1.3546 1.0636 0.8117 1.2917 1.8092 1.1875 1.2803 2.5165 1.2123 1.6869 1.8513 0.9892 0.5483 0.7345 0.1810 1.3179 1.5364 0.8577 1.4029 0.6507 0.8768 1.0644 0.5362 0.4938 0.6125 0.1810 0.7211 2.0832 2.4246 1.6678 2.8934 0.6359 0.5166 0.9097 0.4333 0.1810 0.4648 0.6206 0.3670 X-18779 0.9685 2.0537 0.7883 1.2944 0.2558 1.4463 1.0677 1.0016 3.5791 1.1308 1.3337 1.5594 0.8991 0.6614 0.8781 0.7512 1.4921 1.4782 0.2558 0.9984 1.0072 0.8873 1.3217 0.8465 0.8794 0.6050 0.8851 0.7211 1.6574 3.0829 1.6212 3.2334 0.7010 0.5908 0.8575 0.6557 0.2558 0.4881 0.5001 0.5676 X-21342 1.2330 1.9543 0.0617 0.9928 1.3966 2.2574 0.9286 2.3528 0.0617 0.0617 0.0617 0.0617 0.0617 0.4821 0.5376 1.0000 0.0617 1.1888 0.0617 0.0617 0.0617 0.0617 0.0617 0.0617 0.4665 0.6014 0.5406 0.4941 0.0617 0.0617 0.0617 0.0617 0.3826 0.0617 0.0617 0.0617 0.0617 0.1815 0.6736 0.0617 X-22498 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.4269 1.1522 0.7343 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 0.1707 1.9730 1.4341 1.3982 1.4558 0.2860 0.9647 1.0353 0.9198 X-22771 0.8994 1.5628 1.0362 1.1237 0.6605 1.0729 0.9745 0.9586 0.3310 0.3867 0.6297 0.6459 1.5600 1.2788 2.0735 1.8346 1.1745 1.1690 0.6828 1.0000 0.9599 0.8053 0.9149 0.7541 1.2929 1.0873 1.1285 1.0524 0.4136 0.4627 0.4444 0.8693 2.2921 1.4654 1.6905 1.9201 0.3310 0.8243 1.1653 0.9058 X-22776 1.4684 1.7307 1.0156 0.4492 0.9395 1.5750 1.3585 1.1668 2.4034 1.9834 2.3869 2.3517 1.0000 0.7290 1.1649 0.9539 0.9495 1.4119 1.3535 1.4413 1.0068 0.7894 0.7701 0.8569 0.8303 0.8035 0.7714 0.5478 3.1360 3.3794 2.2670 4.1691 0.8358 0.7277 0.7396 0.7720 0.2405 0.6018 0.6659 0.6342 X-24035 0.9876 1.1534 0.7549 0.8623 0.9178 1.2127 1.0991 1.1785 0.5368 0.4662 0.5931 0.5836 0.7857 0.7345 1.0232 0.9989 1.5449 1.4558 1.0171 1.4986 1.2682 1.0017 1.5130 1.0011 1.5274 1.4171 1.0571 1.1712 0.5404 0.6039 0.5438 1.0176 1.1407 1.0320 1.1579 0.8900 0.4677 0.9653 1.3635 0.9245 X-24425 1.3435 3.6390 1.2192 0.2732 1.0213 1.0719 1.0693 0.2732 0.2732 0.5644 0.9077 0.9848 1.4105 0.5427 0.8583 1.5347 0.2732 0.2732 0.5972 1.2576 0.6968 1.0453 1.0827 0.3668 0.7820 1.2203 0.8867 0.7769 0.8736 0.2732 0.2732 0.2732 0.6420 1.0000 0.8132 0.9842 0.2732 1.4086 1.9122 1.1465 X-24465 0.2464 0.2464 1.0000 0.6866 0.2464 1.6075 0.5805 0.2464 0.2464 0.2464 0.2464 0.2464 3.8816 3.0634 3.3856 4.4471 2.2311 2.8535 0.6473 0.9560 1.4531 0.5562 1.1346 0.6110 0.7162 0.7187 0.2464 0.6627 0.2464 0.2464 0.2464 0.2464 0.7233 1.1806 0.2464 1.8742 0.2464 0.6938 2.2785 0.2464 X-24697 0.1779 0.1779 0.8797 0.1779 0.1814 0.6006 0.3384 1.0047 0.1779 0.2026 0.7673 0.8415 1.3872 0.9942 1.8026 2.4145 2.3370 1.9102 1.4478 3.0091 0.9606 0.2361 1.0303 0.7228 0.5017 1.0954 0.5921 0.9953 0.6993 0.1779 0.1779 0.1779 1.7411 1.6751 2.5688 1.8480 0.9529 2.7448 4.3062 2.7120 X-25003 0.8353 1.3239 0.9873 0.9295 0.9017 1.0431 1.2069 1.0993 0.5881 0.5881 0.5881 0.5881 0.7295 0.7476 1.2478 0.9742 1.0000 0.8326 1.0522 0.8553 0.7929 0.7140 0.5881 0.5881 1.5822 1.6855 0.9697 0.9486 0.5881 0.5881 0.5881 0.5881 1.8027 1.1067 1.1822 1.0319 0.8625 2.0771 3.8162 2.1309 X-25004 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 1.0661 0.4687 2.0639 1.6066 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.4687 0.7527 0.4687 0.4687 0.4687 0.4687 1.0000 1.2939 0.9844 1.3835 0.4687 0.4687 0.7167 0.4716 X-25024 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 1.0000 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 0.6365 1.0633 0.9881 0.8569 0.9133 3.1793 2.9863 1.8051 X-25109 1.0421 1.7256 1.1249 1.1261 0.7674 1.0089 0.9749 1.1107 0.0435 0.0307 0.0699 0.0574 3.7652 3.3783 4.9231 4.8402 0.8985 0.9130 0.6330 0.7601 1.2447 1.0431 0.9911 0.8359 1.2800 1.3776 0.9703 1.1473 0.0703 0.0458 0.0307 0.0454 3.5657 3.0705 2.9208 3.0261 0.2782 0.7790 1.1743 0.7643 X-25936 1.6840 2.6957 1.7382 1.5753 1.0182 1.2510 1.4228 1.4210 0.1090 0.0415 0.0569 0.0569 0.9818 0.8937 1.3370 1.2700 0.4553 0.5119 0.3037 0.3354 2.0346 1.7471 1.7517 1.2979 2.3448 2.7067 1.8951 1.9889 0.0761 0.0938 0.0559 0.1207 1.8489 1.4005 1.2740 1.4191 0.4978 1.1911 1.2127 1.1245 X-25948 0.9883 1.5286 1.0942 0.8760 0.6448 1.2696 0.8553 1.0261 1.1170 0.6557 0.8531 0.8799 1.4143 1.1581 1.5285 1.7732 0.8798 1.3719 0.7983 1.0668 1.0318 0.8299 1.0084 0.8773 0.7835 0.9523 0.7280 0.8062 0.9655 1.3483 0.4873 1.1478 1.6376 1.6254 1.5764 1.1954 0.3767 1.1293 1.4733 0.9687 xanthine 0.4200 0.8348 1.0838 0.6856 0.4094 0.6243 0.7411 1.2034 3.3088 1.6504 3.6645 3.7009 0.6611 0.5374 1.1892 1.6500 0.7929 0.9712 0.9134 1.5174 0.6739 0.3645 1.0675 0.9333 0.3859 0.4784 0.7166 0.9370 3.9349 3.2555 1.8216 4.0073 0.5516 0.5967 1.1404 0.7972 0.1660 0.5312 1.1781 0.8000 xanthosine 1.0460 1.6395 1.1550 1.0076 0.5132 0.8136 0.5870 0.7725 2.4483 0.8711 1.0000 1.0532 0.4537 0.4954 0.6936 0.7651 0.4725 0.5241 0.2042 0.2042 1.6767 1.1687 1.9003 1.4391 0.7495 0.8604 0.8186 1.1690 1.2447 1.9438 0.2042 1.1346 1.9199 2.0819 2.2479 1.6950 0.2042 0.4821 0.7279 0.4267 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1-(1-enyl-oleoyl)-2-oleoyl-GPE (P-18:1/18:1)* 53480897 1-(1-enyl-oleoyl)-GPE (P-18:1)* 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 52925126 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 52925127 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 34779384 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 52925128 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 52923882 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 11146967 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 9547058 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 42607457 1-(1-enyl-stearoyl)-GPE (P-18:0)* 1,2-dilinolenoyl-GPC (18:3/18:3)* 1,2-dilinoleoyl-GPC (18:2/18:2) 5288075 1,2-dilinoleoyl-GPE (18:2/18:2)* 9546812 1,2-dioleoyl-GPC (18:1/18:1) 10350317 1,2-dioleoyl-GPE (18:1/18:1) 9546757 1,2-dipalmitoyl-GPC (16:0/16:0) 452110 D03585 1,2-dipalmitoyl-GPE (16:0/16:0)* 445468 1,2-distearoyl-GPC (18:0/18:0) 94190 1-carboxyethylisoleucine 1-lignoceroyl-GPC (24:0) 24779481 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 24778979 C05208 1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)* 348279332 1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)* 52922731 1-linoleoyl-GPC (18:2) 11988421 C04100 1-linoleoyl-GPE (18:2)* 52925130 1-methyl-4-imidazoleacetate 75810 C05828 1-methyl-5-imidazoleacetate 6451814 1-methylnicotinamide 457 C02918 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 24778634 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 129657 1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)* 348281223 1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)* 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 24778955 1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)* 52922113 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 24778939 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 9546753 1-oleoylglycerol (18:1) 5283468 1-oleoyl-GPC (18:1) 16081932 C03916 1-oleoyl-GPE (18:1) 9547071 1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)* 24778768 1-palmitoleoylglycerol (16:1)* 1-palmitoleoyl-GPC (16:1)* 24779461 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 10747814 C05208 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 9546800 C05210 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)* 1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)* 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 6441886 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 9546799 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 5287971 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 9546747 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 6436017 C13875 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 5283496 1-palmitoyl-2-oleoyl-GPG (16:0/18:1) 70789105 1-palmitoyl-2-oleoyl-GPS (16:0/18:1) 5283499 C13880 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 6443788 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 24778686 C03889 1-palmitoyl-2-stearoyl-GPE (16:0/18:0)* 5326793 1-palmitoyl-GPC (16:0) 86554 C04102 1-palmitoyl-GPE (16:0) 9547069 1-ribosyl-imidazoleacetate* 440569 C05131 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 16219824 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 5289133 C05210 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 24779545 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 24778876 1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)* 9546798 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 6441487 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 9546749 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 9547091 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 24778825 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 9546742 1-stearoyl-2-oleoyl-GPG (18:0/18:1) 24779551 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 9547087 1-stearoyl-GPC (18:0) 497300 1-stearoyl-GPE (18:0) 9547068 1-stearoyl-GPI (18:0) 2'-deoxyadenosine 13730 C00559 2'-deoxyadenosine 3'-monophosphate 167350 2'-deoxyadenosine 5'-monophosphate 12599 C00360 2'-deoxycytidine 13711 C00881 2'-deoxycytidine 5'-monophosphate 13945 C00239 2'-deoxyguanosine 135398592 C00330 2'-deoxyinosine 135398593 C05512 2'-deoxyuridine 13712 C00526 2-hydroxyglutarate 43 C02630 2-methylbutyrylcarnitine (C5) 6426901 2-oleoylglycerol (18:1) 5319879 2-O-methylascorbic acid 54726398 2-oxoarginine* 558 C03771 2-palmitoleoyl-GPC (16:1)* 122164832 3-(4-hydroxyphenyl)lactate 9378 C03672 (3'-5')-adenylyladenosine* 94231 (3'-5')-adenylylcytidine 10875494 (3'-5')-adenylylguanosine* 135508729 (3'-5')-adenylyluridine 145459093 3'-dephospho-CoA-glutathione* 3'-dephosphocoenzyme A 444485 C00882 3-hydroxy-3-methylglutarate C03761 3-methylcytidine 14237477 3-methylglutaconate 1551553 3-phosphoglycerate 724 C00597 3-ureidopropionate 111 C02642 4-acetamidobenzoate 6918889 D03836 4-acetamidobutanoate 18189 C02946 4-guanidinobutanoate 500 C01035 4-hydroxy-nonenal-glutathione 92970719 4-hydroxyphenylpyruvate 979 C01179 5,6-dihydrouridine 94312 5-aminovalerate 138 C00431 5-(galactosylhydroxy)-L-lysine 66995551 5-methylcytidine 92918 5-methylthioadenosine (MTA) 439176 C00170 5-oxoproline C02237,C01879 acetylcarnitine (C2) 7045767 C02571 acetylphosphate 186 C00227 aconitate [cis or trans] C004174,C02341 adenine 190 C00147 adenosine 60961 C00212 adenosine 2'-monophosphate (2'-AMP) 94136 C00946 adenosine 3'-monophosphate (3'-AMP) 41211 C01267 adenosine 5'-diphosphoribose (ADP-ribose) 192 C00301 adenosine 5'-monophosphate (AMP) 6083 C00020 adenylosuccinate 440122 C03794 AICA ribonucleotide 65110 C04677 alanine 5950 C00041 allantoin C02348,C01551,C02350 alpha-ketoglutarate 51 C00026 alpha-tocopherol 86472 C02477 arabitol/xylitol C00379,C00542,C01904 arabonate/xylonate C00502,C05411 arginine 6322 C00062 argininosuccinate 60150382 C03406 ascorbate (Vitamin C) 54670067 D00018,C00072 asparagine 6267 C00152 aspartate 5960 C00049 behenoyl sphingomyelin (d18:1/22:0)* 44260125 benzoate 243 C00180 beta-alanine 239 C00099 betaine 247 C00719 butyrylcarnitine (C4) 439829 C02862 carnitine 288 C00487,C00308 carnosine 439224 C00386 ceramide (d16:1/24:1, d18:1/22:1)* ceramide (d18:1/14:0, d16:1/16:0)* ceramide (d18:1/17:0, d17:1/18:0)* ceramide (d18:2/24:1, d18:1/24:2)* cholesterol C00187 cholesterol sulfate 65076 C18043 choline 305 C00114 choline phosphate 1014 C00588 citrate 311 C00158 citrulline 9750 C00327 CoA-glutathione* 46873828 C00920 coenzyme A 87642 C00010 creatine 586 C00300 creatinine 588 C00791 cysteine 5862 C00097 cysteine-glutathione disulfide 3080690 R00900 cysteine s-sulfate 115015 C05824 cysteinylglycine 439498 C01419 cytidine 6175 C00475 cytidine 5'-diphosphocholine 13804 C00307 cytidine-5'-diphosphoethanolamine 123727 C00570 cytidine 5'-monophosphate (5'-CMP) 6131 C00055 cytosine 597 C00380 deoxycarnitine 22620 C01181 dihydroorotate 648 C00337 dihydroxyacetone phosphate (DHAP) 668 C00111 dimethylarginine (SDMA + ADMA) C21189,C03626 dimethylglycine 673 C03626 eicosenoate (20:1) C16526 ergothioneine 5351619 C05570 erythritol 222285 C00503 erythronate* 2781043 flavin adenine dinucleotide (FAD) 643975 C00016 fructose 2723872 C00095 fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates C01231,C00354,C05378 fructosyllysine 9839580 fumarate 444972 C00122 galactitol (dulcitol) 11850 C01697 gamma-glutamylcysteine 123938 C00669 gamma-glutamylglutamate 92865 C05282 glucose 5793 C00031 glucuronate C16245 glutamate 33032 C00025,C00217 glutamine 5961 C00064 glutamine_degradant* glutathione, oxidized (GSSG) 65359 D00031,C00127 glutathione, reduced (GSH) 124886 D00014,C00051 glycerate C00258 glycerol 3-phosphate 754 C0093 glycerophosphoethanolamine 123874 C01233 glycerophosphoglycerol 54575349 C03274 glycerophosphoinositol* 167572 glycerophosphorylcholine (GPC) 71920 C00670 glycerophosphoserine* 3081457 glycine 750 C00037 glycosyl ceramide (d16:1/24:1, d18:1/22:1)* glycosyl ceramide (d18:1/20:0, d16:1/22:0)* glycosyl ceramide (d18:2/24:1, d18:1/24:2)* glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) glycosyl-N-stearoyl-sphingosine (d18:1/18:0) glycylleucine 92843 C02155 guanidinoacetate 763 C00581 guanine 135398634 C00242 guanosine 6802 C00387 guanosine 5'-diphosphate (GDP) 135398619 C00035 guanosine 5'-diphospho-fucose guanosine 5'-monophosphate (5'-GMP) 6804 C00144 gulonate* 152304 C00800 heme 26945 C00032 HEPES 23831 hexanoylcarnitine (C6) 6426853 hippurate 464 C01586 histidine 6274 C00135 homocysteine 778 C00155 homostachydrine* 441447 C08283 hydroxy-N6,N6,N6-trimethyllysine* hypotaurine 107812 C00519 hypoxanthine C00262 imidazole lactate 793 C05568 imidazole propionate 70630 indolelactate 92904 C02043 inosine 6021 C00294 inosine 5'-monophosphate (IMP) 8582 C00130 isobutyrylcarnitine (C4) 168379 isoleucine 6306 C06418,C00407,C16424 isovalerylcarnitine (C5) 169235 C20826 itaconate 811 C00490 lactate 612 C00186 lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 53477895 leucine 6106 C00123 leucylglycine 79070 lignoceroyl sphingomyelin (d18:1/24:0) lysine 5962 C00739,C00047 lyxonate malate 525 C00149,C00711,C00497 mannitol/sorbitol C00392,C00794 mannonate* 3246006 mannose C00159,C02209,C00936 methionine 6137 C00073 methionine sulfone 69961 methionine sulfoxide 158980 C02989 methylmalonate (MMA) 487 C02170 methylphosphate 13130 myo-inositol 892 C00137 N1-methyladenosine 27476 C02494 (N(1) + N(8))-acetylspermidine C01029,C00612 N2,N2-dimethylguanosine 135501639 N6-carbamoylthreonyladenosine 161466 N6-methyllysine 164795 C02728 N6,N6,N6-trimethyllysine 440120 C03793 N6-succinyladenosine 165243 N-acetylalanine 88064 C02847 N-acetylarginine 67427 C02562 N-acetylasparagine 99715 N-acetylaspartate (NAA) 65065 C01042 N-acetylcysteine 12035 C06809 N-acetylglucosamine/N-acetylgalactosamine C01074 N-acetylglucosaminylasparagine 123826 C04540 N-acetylglutamate 70914 C00624 N-acetylglutamine 182230 C02716 N-acetylmethionine 448580 C02712 N-acetylmethionine sulfoxide 11902949 N-acetylneuraminate 439197 C00270 N-acetylserine 65249 N-acetyltaurine 159864 N-acetylthreonine 152204 N-carbamoylaspartate 93072 C00438 N-formylmethionine 439750 C03145 N-glycolylneuraminate 123802 C03410 nicotinamide 936 C00153 nicotinamide riboside 439924 C03150 nicotinate 938 C00253 N-monomethylarginine 132862 C03884 N,N,N-trimethyl-5-aminovalerate 14274897 N,N,N-trimethyl-alanylproline betaine (TMAP) N-palmitoyl-sphingadienine (d18:2/16:0)* N-palmitoyl-sphinganine (d18:0/16:0) 5283572 N-palmitoyl-sphingosine (d18:1/16:0) 5283564 N-stearoyl-sphingosine (d18:1/18:0)* 5283565 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 9543786 oleoylcarnitine (C18:1) 6441392 ornithine 6262 C00077 orotate 967 C00295 orotidine 92751 palmitoylcarnitine (C16) 461 C02990 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 9939965 palmitoyl sphingomyelin (d18:1/16:0) 9939941 pantetheine 439322 C00831 pantothenate 6613 C00864 penicillin G 5904 C05551 phenol red 4766 C12600 phenylacetylglycine 68144 C05598 phenylalanine 6140 C00079 phenylalanylalanine 5488196 phenylalanylglycine 6992304 phosphate 1061 C00009 phosphoethanolamine 1015 C00346 phosphopantetheine 987 C01134 pipecolate proline C00148,C000763 propionylcarnitine (C3) 107738 C03017 pseudouridine 15047 C02067 pterin 135398660 C00715 putrescine 1045 C00134 pyridoxamine 1052 C00534 pyridoxamine phosphate 1053 C00647 pyridoxine phosphate 1055 C00627 pyridoxine (Vitamin B6) 1054 D08454 pyruvate 1060 C00022 quinolinate 1066 C03722 ribitol 6912 C00379,C01904,C00474,C00532 riboflavin (Vitamin B2) 493570 C00255 ribonate 5460677 C01685 ribose 5779 C00121 ribulose/xylulose S-(1,2-dicarboxyethyl)glutathione 9802383 S-1-pyrroline-5-carboxylate 11966181 C04322 (S)-3-hydroxybutyrylcarnitine 71464477 S-adenosylhomocysteine (SAH) 439155 C00021 S-adenosylmethionine (SAM) 34755 C00019 sedoheptulose 5459879 C02076 sedoheptulose-7-phosphate 616 C05382 serine 5951 C00065 serotonin 5202 C00780 S-lactoylglutathione 440018 C03451 S-methylcysteine S-methylglutathione 115260 C11347 S-nitrosoglutathione (GSNO) spermidine 1102 C00315 spermine 1103 C00750 sphinganine 3126 C00836 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* sphingomyelin (d18:0/18:0, d19:0/17:0)* 44260130 sphingomyelin (d18:1/14:0, d16:1/16:0)* 11433862 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 46891763 sphingomyelin (d18:1/18:1, d18:2/18:0) 6443882 sphingomyelin (d18:1/19:0, d19:1/18:0)* sphingomyelin (d18:1/20:0, d16:1/22:0)* 44260124 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* sphingomyelin (d18:1/24:1, d18:2/24:0)* 44260126 sphingomyelin (d18:2/16:0, d18:1/16:1)* sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 134757653 sphingomyelin (d18:2/24:1, d18:1/24:2)* 85336023 sphingomyelin (d18:2/24:2)* sphingosine 5280335 C00319 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 6438587 stearoylcarnitine (C18) 3006797 stearoyl sphingomyelin (d18:1/18:0) 6453725 C00550 succinylcarnitine (C4-DC) 71464481 sulfate* 5152822 C00059 taurine 1123 C00245 thiamin (Vitamin B1) 1130 DG00125,C00378,D08580 thioproline 93176 threonate C01620 threonine 6288 C00188 thymidine 5789 C00214 thymidine 5'-monophosphate 9700 C00364 trans-4-hydroxyproline 5810 C01157 trigonelline (N'-methylnicotinate) 5570 C01004 tryptophan 6305 C00078 tyrosine 6057 C00082 tyrosylglycine 7021854 UDP-galactose 18068 C00052 UDP-glucose 8629 C00029 UDP-glucuronate 17473 C00167 UDP-N-acetylglucosamine/galactosamine C00203,C00043 uracil 1174 C00106 uridine 6029 C00299 uridine 3'-monophosphate (3'-UMP) 101543 C01368 uridine 5'-diphosphate (UDP) 6031 C00015 uridine 5'-monophosphate (UMP) 6030 C00105 valine 6287 C00183 valylglycine 136487 X-11615 X-11677 X-12015 X-12100 X-12127 X-12462 X-14056 X-15161 X-17010 X-18779 X-21342 X-22498 X-22771 X-22776 X-24035 X-24425 X-24465 X-24697 X-25003 X-25004 X-25024 X-25109 X-25936 X-25948 xanthine 1188 C00385 xanthosine 64959 C01762 METABOLITES_END #END