#METABOLOMICS WORKBENCH c_yong_20250917_071822 DATATRACK_ID:6442 STUDY_ID:ST004207 ANALYSIS_ID:AN006997 PROJECT_ID:PR002652 VERSION 1 CREATED_ON September 22, 2025, 12:17 pm #PROJECT PR:PROJECT_TITLE Tumour sampling conditions perturb the metabolic landscape of clear cell renal PR:PROJECT_TITLE cell carcinoma PR:PROJECT_SUMMARY Human isotopic tracer studies are becoming the gold standard for studying cancer PR:PROJECT_SUMMARY metabolism in vivo. Analysed tissues are typically retrieved after surgical PR:PROJECT_SUMMARY resection exposing them to variable amounts of warm ischaemia. Although PR:PROJECT_SUMMARY standardised protocols are emerging, the effects of sampling conditions on the PR:PROJECT_SUMMARY tissue metabolome remain understudied. Here, we perform a 13C-glucose study PR:PROJECT_SUMMARY coupled with metabolomic, transcriptomic, and proteomic profiling in patients PR:PROJECT_SUMMARY with clear cell renal cell carcinoma (ccRCC) to assess the impact of ischaemia PR:PROJECT_SUMMARY on tissues sampled intraoperatively (blood supply intact) and post-surgical PR:PROJECT_SUMMARY resection (tissues exposed to ischaemia). Although several metabolic features PR:PROJECT_SUMMARY were preserved, we demonstrate that ischaemia significantly impacted other PR:PROJECT_SUMMARY metabolic phenotypes of ccRCC, masking key features such as suppressed PR:PROJECT_SUMMARY gluconeogenesis. Notably, kidneys were more metabolically susceptible to PR:PROJECT_SUMMARY ischaemia than these VHL-mutant ccRCC tumours. Despite the overall stability of PR:PROJECT_SUMMARY the proteome and transcription, we also identified subtle degrees of PR:PROJECT_SUMMARY ischaemia-induced perturbations. Using orthotopic ccRCC-derived xenografts, we PR:PROJECT_SUMMARY evidenced that prolonged exposure to ischaemia disrupted the tissue metabolome PR:PROJECT_SUMMARY stability. Overall, minimising tissue ischaemia is pivotal in accurately PR:PROJECT_SUMMARY profiling cancer metabolism in these important and resource-intense patient PR:PROJECT_SUMMARY studies. PR:INSTITUTE University of Cambridge PR:LAST_NAME Yong PR:FIRST_NAME Cissy PR:ADDRESS Hills Road, CAMBRIDGE, England, CB2 0QQ, United Kingdom PR:EMAIL cy295@cam.ac.uk PR:PHONE +49 221 478- 84308 #STUDY ST:STUDY_TITLE Tumour sampling conditions perturb the metabolic landscape of clear cell renal ST:STUDY_TITLE cell carcinoma ST:STUDY_SUMMARY Study conditions Human studies: Five patients with clear cell renal cell ST:STUDY_SUMMARY carcinoma undergoing a radical nephrectomy were infused with 13C6 glucose from ST:STUDY_SUMMARY time of anaesthetic induction to sampling of tissues at time point 1 (95-145 ST:STUDY_SUMMARY minutes). At time point 1, tissue samples (between 1-3 samples) were taken from ST:STUDY_SUMMARY each patient's tumour and adjacent healthy kidney. After the kidney was ST:STUDY_SUMMARY surgically removed (detached from blood supply), repeat tissue samples (between ST:STUDY_SUMMARY 1-3 samples) were taken from each patient's tumour and adjacent healthy kidney. ST:STUDY_SUMMARY Mouse studies: All experiments were conducted in strict accordance with the UK ST:STUDY_SUMMARY Animals (Scientific Procedures) Act 1986 by personnel with the appropriate ST:STUDY_SUMMARY personal licence. Eleven healthy male NSG mice (Charles River Laboratories, UK) ST:STUDY_SUMMARY were orthotopically xenografted with 786-O human ccRCC cells at between 8-13 ST:STUDY_SUMMARY weeks of age. All mice were housed in specific-pathogen-free animal facilities ST:STUDY_SUMMARY with ad libitum access to food and water. Mice were infused with 13C6 glucose ST:STUDY_SUMMARY for 60 minutes. Mice were euthanised at the end of the infusion and tissues ST:STUDY_SUMMARY immediately harvested. Tissue samples (both kidney and 786-O tumour) were ST:STUDY_SUMMARY divided into 4 equal pieces, one piece was immediately flash frozen in liquid ST:STUDY_SUMMARY nitrogen and the other pieces left at room temperature in a petri dish for 5, ST:STUDY_SUMMARY 30, or 60 mins prior to freezing. Study summary: Human isotopic tracer studies ST:STUDY_SUMMARY are becoming the gold standard for studying cancer metabolism in vivo. Analysed ST:STUDY_SUMMARY tissues are typically retrieved after surgical resection exposing them to ST:STUDY_SUMMARY variable amounts of warm ischaemia. Although standardised protocols are ST:STUDY_SUMMARY emerging, the effects of sampling conditions on the tissue metabolome remain ST:STUDY_SUMMARY understudied. Here, we perform a 13C-glucose study coupled with metabolomic, ST:STUDY_SUMMARY transcriptomic, and proteomic profiling in patients with clear cell renal cell ST:STUDY_SUMMARY carcinoma (ccRCC) to assess the impact of ischaemia on tissues sampled ST:STUDY_SUMMARY intraoperatively (blood supply intact) and post-surgical resection (tissues ST:STUDY_SUMMARY exposed to ischaemia). Although several metabolic features were preserved, we ST:STUDY_SUMMARY demonstrate that ischaemia significantly impacted other metabolic phenotypes of ST:STUDY_SUMMARY ccRCC, masking key features such as suppressed gluconeogenesis. Notably, kidneys ST:STUDY_SUMMARY were more metabolically susceptible to ischaemia than these VHL-mutant ccRCC ST:STUDY_SUMMARY tumours. Despite the overall stability of the proteome and transcription, we ST:STUDY_SUMMARY also identified subtle degrees of ischaemia-induced perturbations. Using ST:STUDY_SUMMARY orthotopic ccRCC-derived xenografts, we evidenced that prolonged exposure to ST:STUDY_SUMMARY ischaemia disrupted the tissue metabolome stability. Overall, minimising tissue ST:STUDY_SUMMARY ischaemia is pivotal in accurately profiling cancer metabolism in these ST:STUDY_SUMMARY important and resource-intense patient studies. ST:INSTITUTE University of Cambridge ST:LAST_NAME Yong ST:FIRST_NAME Cissy ST:ADDRESS Cambridge University Hospitals, Hills Road, CB2 0QQ ST:EMAIL cy295@cam.ac.uk ST:PHONE +49 221 478- 84308 ST:NUM_GROUPS 1 ST:TOTAL_SUBJECTS 5 ST:NUM_MALES 5 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo Sapiens; Mus musculus SU:TAXONOMY_ID 9606; 10090 SU:AGE_OR_AGE_RANGE humans 50-80, mice 8-13 weeks SU:GENDER Male #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS P16 EMKC016 T1 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T1.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 T2 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T2.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 T3 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T3.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 T4 Factor:WIT 60mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T4.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 T5 Factor:WIT 60mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T5.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 T6 Factor:WIT 60mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=EMKC016_T6.raw SUBJECT_SAMPLE_FACTORS P17 CY3_1 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_1.raw SUBJECT_SAMPLE_FACTORS P17 CY3_2 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_2.raw SUBJECT_SAMPLE_FACTORS P17 CY3_3 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_3.raw SUBJECT_SAMPLE_FACTORS P17 CY3_6 Factor:WIT 45mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_6.raw SUBJECT_SAMPLE_FACTORS P17 CY3_7 Factor:WIT 45mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_7.raw SUBJECT_SAMPLE_FACTORS P18 CY3_31 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_31.raw SUBJECT_SAMPLE_FACTORS P18 CY3_32 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_32.raw SUBJECT_SAMPLE_FACTORS P18 CY3_37 Factor:WIT 60mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_37.raw SUBJECT_SAMPLE_FACTORS P19 CY3_56 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_56.raw SUBJECT_SAMPLE_FACTORS P19 CY3_64 Factor:WIT 15mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_64.raw SUBJECT_SAMPLE_FACTORS P19 CY3_65 Factor:WIT 15mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_65.raw SUBJECT_SAMPLE_FACTORS P22 CY3_110 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_110.raw SUBJECT_SAMPLE_FACTORS P22 CY3_111 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_111.raw SUBJECT_SAMPLE_FACTORS P22 CY3_112 Factor:in vivo | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_112.raw SUBJECT_SAMPLE_FACTORS P22 CY3_116 Factor:WIT 10mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_116.raw SUBJECT_SAMPLE_FACTORS P22 CY3_117 Factor:WIT 10mins | Sample source:human ccRCC RAW_FILE_NAME(Raw file name)=CY3_117.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K1 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K1.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K2 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K2.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K3 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K3.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K4 Factor:WIT 60mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K4.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K5 Factor:WIT 60mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K5.raw SUBJECT_SAMPLE_FACTORS P16 EMKC016 K6 Factor:WIT 60mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=EMKC016_K6.raw SUBJECT_SAMPLE_FACTORS P17 CY3_5 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_5.raw SUBJECT_SAMPLE_FACTORS P17 CY3_8 Factor:WIT 45mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_8.raw SUBJECT_SAMPLE_FACTORS P17 CY3_9 Factor:WIT 45mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_9.raw SUBJECT_SAMPLE_FACTORS P18 CY3_27 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_27.raw SUBJECT_SAMPLE_FACTORS P18 CY3_29 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_29.raw SUBJECT_SAMPLE_FACTORS P18 CY3_38 Factor:WIT 60mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_38.raw SUBJECT_SAMPLE_FACTORS P19 CY3_51 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_51.raw SUBJECT_SAMPLE_FACTORS P19 CY3_52 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_52.raw SUBJECT_SAMPLE_FACTORS P19 CY3_62 Factor:WIT 15mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_62.raw SUBJECT_SAMPLE_FACTORS P19 CY3_63 Factor:WIT 15mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_63.raw SUBJECT_SAMPLE_FACTORS P22 CY3_113 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_113.raw SUBJECT_SAMPLE_FACTORS P22 CY3_114 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_114.raw SUBJECT_SAMPLE_FACTORS P22 CY3_115 Factor:in vivo | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_115.raw SUBJECT_SAMPLE_FACTORS P22 CY3_118 Factor:WIT 10mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_118.raw SUBJECT_SAMPLE_FACTORS P22 CY3_119 Factor:WIT 10mins | Sample source:human kidney RAW_FILE_NAME(Raw file name)=CY3_119.raw SUBJECT_SAMPLE_FACTORS M1 CY1_01 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY1_01.raw SUBJECT_SAMPLE_FACTORS M1 CY1_02 Factor:WIT 5mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY1_02.raw SUBJECT_SAMPLE_FACTORS M1 CY1_03 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY1_03.raw SUBJECT_SAMPLE_FACTORS M1 CY1_04 Factor:WIT 60mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY1_04.raw SUBJECT_SAMPLE_FACTORS M10 CY6_14 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_14.raw SUBJECT_SAMPLE_FACTORS M10 CY6_16 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_16.raw SUBJECT_SAMPLE_FACTORS M11 CY6_18 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_18.raw SUBJECT_SAMPLE_FACTORS M11 CY6_20 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_20.raw SUBJECT_SAMPLE_FACTORS M12 CY6_22 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_22.raw SUBJECT_SAMPLE_FACTORS M12 CY6_24 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_24.raw SUBJECT_SAMPLE_FACTORS M2 CY02_05 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY02_05.raw SUBJECT_SAMPLE_FACTORS M2 CY02_06 Factor:WIT 5mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY02_06.raw SUBJECT_SAMPLE_FACTORS M2 CY02_07 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY02_07.raw SUBJECT_SAMPLE_FACTORS M2 CY02_08 Factor:WIT 60mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY02_08.raw SUBJECT_SAMPLE_FACTORS M4 CY6_26 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_26.raw SUBJECT_SAMPLE_FACTORS M4 CY6_28 Factor:WIT 5mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_28.raw SUBJECT_SAMPLE_FACTORS M4 CY6_30 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_30.raw SUBJECT_SAMPLE_FACTORS M4 CY6_32 Factor:WIT 60mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_32.raw SUBJECT_SAMPLE_FACTORS M5 CY6_34 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_34.raw SUBJECT_SAMPLE_FACTORS M5 CY6_36 Factor:WIT 5mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_36.raw SUBJECT_SAMPLE_FACTORS M5 CY6_38 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_38.raw SUBJECT_SAMPLE_FACTORS M5 CY6_40 Factor:WIT 60mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_40.raw SUBJECT_SAMPLE_FACTORS M6 CY6_42 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_42.raw SUBJECT_SAMPLE_FACTORS M6 CY6_44 Factor:WIT 5mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_44.raw SUBJECT_SAMPLE_FACTORS M6 CY6_46 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_46.raw SUBJECT_SAMPLE_FACTORS M6 CY6_48 Factor:WIT 60mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_48.raw SUBJECT_SAMPLE_FACTORS M7 CY6_1 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_1.raw SUBJECT_SAMPLE_FACTORS M7 CY6_2 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_2.raw SUBJECT_SAMPLE_FACTORS M8 CY6_5 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_5.raw SUBJECT_SAMPLE_FACTORS M8 CY6_6 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_6.raw SUBJECT_SAMPLE_FACTORS M9 CY6_10 Factor:in vivo | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_10.raw SUBJECT_SAMPLE_FACTORS M9 CY6_12 Factor:WIT 30mins | Sample source:mouse ccRCC RAW_FILE_NAME(Raw file name)=CY6_12.raw SUBJECT_SAMPLE_FACTORS M1 CY1_05 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY1_05.raw SUBJECT_SAMPLE_FACTORS M1 CY1_06 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY1_06.raw SUBJECT_SAMPLE_FACTORS M1 CY1_07 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY1_07.raw SUBJECT_SAMPLE_FACTORS M1 CY1_08 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY1_08.raw SUBJECT_SAMPLE_FACTORS M10 CY6_13 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_13.raw SUBJECT_SAMPLE_FACTORS M10 CY6_15 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_15.raw SUBJECT_SAMPLE_FACTORS M11 CY6_17 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_17.raw SUBJECT_SAMPLE_FACTORS M11 CY6_19 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_19.raw SUBJECT_SAMPLE_FACTORS M12 CY6_21 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_21.raw SUBJECT_SAMPLE_FACTORS M12 CY6_23 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_23.raw SUBJECT_SAMPLE_FACTORS M2 CY02_09 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_09.raw SUBJECT_SAMPLE_FACTORS M2 CY02_10 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_10.raw SUBJECT_SAMPLE_FACTORS M2 CY02_11 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_11.raw SUBJECT_SAMPLE_FACTORS M2 CY02_12 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_12.raw SUBJECT_SAMPLE_FACTORS M3 CY02_01 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_01.raw SUBJECT_SAMPLE_FACTORS M3 CY02_02 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_02.raw SUBJECT_SAMPLE_FACTORS M3 CY02_03 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_03.raw SUBJECT_SAMPLE_FACTORS M3 CY02_04 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY02_04.raw SUBJECT_SAMPLE_FACTORS M4 CY6_25 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_25.raw SUBJECT_SAMPLE_FACTORS M4 CY6_27 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_27.raw SUBJECT_SAMPLE_FACTORS M4 CY6_29 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_29.raw SUBJECT_SAMPLE_FACTORS M4 CY6_31 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_31.raw SUBJECT_SAMPLE_FACTORS M5 CY6_33 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_33.raw SUBJECT_SAMPLE_FACTORS M5 CY6_35 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_35.raw SUBJECT_SAMPLE_FACTORS M5 CY6_37 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_37.raw SUBJECT_SAMPLE_FACTORS M5 CY6_39 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_39.raw SUBJECT_SAMPLE_FACTORS M6 CY6_41 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_41.raw SUBJECT_SAMPLE_FACTORS M6 CY6_43 Factor:WIT 5mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_43.raw SUBJECT_SAMPLE_FACTORS M6 CY6_45 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_45.raw SUBJECT_SAMPLE_FACTORS M6 CY6_47 Factor:WIT 60mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_47.raw SUBJECT_SAMPLE_FACTORS M7 CY6_3 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_3.raw SUBJECT_SAMPLE_FACTORS M7 CY6_4 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_4.raw SUBJECT_SAMPLE_FACTORS M8 CY6_7 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_7.raw SUBJECT_SAMPLE_FACTORS M8 CY6_8 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_8.raw SUBJECT_SAMPLE_FACTORS M9 CY6_11 Factor:WIT 30mins | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_11.raw SUBJECT_SAMPLE_FACTORS M9 CY6_9 Factor:in vivo | Sample source:mouse kidney RAW_FILE_NAME(Raw file name)=CY6_9.raw #COLLECTION CO:COLLECTION_SUMMARY Tissue samples were homogenized (6000 rpm, 2 x 30 secs, Precellys®24 tissue CO:COLLECTION_SUMMARY homogenizer, Bertin Instruments, France) in an extraction buffer (25 µL/mg CO:COLLECTION_SUMMARY tissue) containing 50% methanol, 30% acetonitrile, 20% ultrapure water, and 5µM CO:COLLECTION_SUMMARY valine-d8 (CK isotopes, UK) as an internal standard. Sample controls were the CO:COLLECTION_SUMMARY respective patient kidney tissues and there were 1-3 biological replicates. CO:COLLECTION_SUMMARY Samples were incubated on dry ice for 20 mins, mixed (Thermomixer, Eppendorf, CO:COLLECTION_SUMMARY Germany, 3000 rpm, 15 mins, 4°C) and then centrifuged (16,000 g, 20 mins, 4°C) CO:COLLECTION_SUMMARY with the supernatants stored at -80°C until analysis. CO:SAMPLE_TYPE tissues CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY All patients had matched tissue samples acquired in two conditions: in vivo TR:TREATMENT_SUMMARY (intraoperatively with tissues perfused) and WIT (warm ischaemia time) TR:TREATMENT_SUMMARY conditions. WIT was measured by the time of ligation of renal blood vessels to TR:TREATMENT_SUMMARY the earliest opportunity for research tissue sampling after removal of the TR:TREATMENT_SUMMARY tumour-bearing kidney. Mice had tissue samples acquired from both tumour (786-0 TR:TREATMENT_SUMMARY ccRCC) and adjacent kidney at time 0 (in vivo), 5, 30, and 60 minutes of WIT. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Tissue samples were homogenized (6000 rpm, 2 x 30 secs, Precellys®24 tissue SP:SAMPLEPREP_SUMMARY homogenizer, Bertin Instruments, France) in an extraction buffer (25 µl/mg SP:SAMPLEPREP_SUMMARY tissue) containing 50% methanol, 30% acetonitrile, 20% ultrapure water, and 5µM SP:SAMPLEPREP_SUMMARY valine-d8 (CK isotopes, UK) as an internal standard. Sample controls were the SP:SAMPLEPREP_SUMMARY respective patient kidney tissues and there were 1-3 biological replicates. SP:SAMPLEPREP_SUMMARY Samples were incubated on dry ice for 20 mins, mixed (Thermomixer, Eppendorf, SP:SAMPLEPREP_SUMMARY Germany, 3000 rpm, 15 mins, 4°C) and then centrifuged (16,000 g, 20 mins, 4°C) SP:SAMPLEPREP_SUMMARY with the supernatants stored at -80°C until analysis. Samples were analyzed on SP:SAMPLEPREP_SUMMARY a Q Exactive Hybrid Quadrupole-Orbitrap Mass spectrometer (Thermo Scientific, SP:SAMPLEPREP_SUMMARY USA) coupled to a Dionex Ultimate 3000 UHPLC (Dionex, USA). HILIC SP:SAMPLEPREP_SUMMARY chromatographic separation of metabolites was achieved using a Millipore Sequant SP:SAMPLEPREP_SUMMARY ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm, Merck, USA) equipped with a SP:SAMPLEPREP_SUMMARY 2.1 × 20 mm guard column (both 5 mm particle size) with a binary solvent SP:SAMPLEPREP_SUMMARY system. Solvent A contained 20 mM ammonium carbonate, 0.05% ammonium hydroxide; SP:SAMPLEPREP_SUMMARY and Solvent B was acetonitrile. The column oven and autosampler tray were held SP:SAMPLEPREP_SUMMARY at 40°C and 4°C, respectively. The chromatographic gradient flow rate was run SP:SAMPLEPREP_SUMMARY at 0.200 mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% SP:SAMPLEPREP_SUMMARY B to 20% B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-22.5 min: SP:SAMPLEPREP_SUMMARY hold at 80% B. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Q Exactive Hydrid Quadrupole-Orbitrap Mass spectrometer (Thermo Scientific, USA) CH:INSTRUMENT_NAME coupled to a Dionex Ultimate 3000 UHPLC CH:COLUMN_NAME Millipore Sequant ZIC-pHILIC analytical column (150 x 2.1 mm, 5 µm) CH:SOLVENT_A 100% Water; 20 mM ammonium carbonate; 0.05% ammonium hydroxide CH:SOLVENT_B 100% Acetonitrile CH:FLOW_GRADIENT 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% B; 17-17.1 min: CH:FLOW_GRADIENT linear gradient from 20% B to 80% B; 17.1-22.5 min: hold at 80% B CH:FLOW_RATE 0.200 mL/min CH:COLUMN_TEMPERATURE 40°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The mass spectrometer was operated in full-scan, polarity-switching mode. The MS:MS_COMMENTS spray voltage was set to +4.5 kV/-3.5 kV, the heated capillary maintained at MS:MS_COMMENTS 320°C, and auxiliary gas heater maintained at 280°C. The sheath gas flow was MS:MS_COMMENTS set to 25 units, the auxiliary gas flow was set to 15 units, and the sweep gas MS:MS_COMMENTS flow was set to 0 unit. HRMS data acquisition was performed in a range of m/z = MS:MS_COMMENTS 70–900, with the resolution set at 70,000, the automatic gain control (AGC) MS:MS_COMMENTS target at 1 × 106, and the maximum injection time (Max IT) at 120 ms. Acquired MS:MS_COMMENTS spectra were analyzed using Tracefinder 5.0 software (Thermo Fisher, USA) with MS:MS_COMMENTS referencing to an internal library of compounds and integrated peak areas used MS:MS_COMMENTS for semi-quantification of detected metabolites. Metabolite identities were MS:MS_COMMENTS confirmed using two parameters: the precursor ion m/z was matched ±5 ppm of MS:MS_COMMENTS theoretical mass predicted by the chemical formula; and secondly, the retention MS:MS_COMMENTS time of the metabolite was within 5% of the retention time of a purified MS:MS_COMMENTS standard run with the same chromatographic method. For 13C-labelling analysis, MS:MS_COMMENTS the theoretical masses of 13C isotopes were calculated and added to a library of MS:MS_COMMENTS predicted isotopes. These masses were then searched with a 5 ppm tolerance and MS:MS_COMMENTS integrated if the peak apex showed <1% difference in retention time from the MS:MS_COMMENTS [U-12C] monoisotopic mass in the same chromatogram. Natural isotope abundances MS:MS_COMMENTS were corrected for using the AccuCor algorithm MS:MS_COMMENTS (https://github.com/lparsons/accucor). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized total ion count MS_METABOLITE_DATA_START Samples EMKC016 K1 EMKC016 K2 EMKC016 K3 CY3_5 CY3_27 CY3_29 CY3_51 CY3_52 CY3_113 CY3_114 CY3_115 EMKC016 T1 EMKC016 T2 EMKC016 T3 CY3_1 CY3_2 CY3_3 CY3_31 CY3_32 CY3_56 CY3_110 CY3_111 CY3_112 EMKC016 K4 EMKC016 K5 EMKC016 K6 CY3_8 CY3_9 CY3_38 CY3_62 CY3_63 CY3_118 CY3_119 EMKC016 T4 EMKC016 T5 EMKC016 T6 CY3_6 CY3_7 CY3_37 CY3_64 CY3_65 CY3_116 CY3_117 Factors Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human kidney Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:in vivo | Sample source:human ccRCC Factor:WIT 60mins | Sample source:human kidney Factor:WIT 60mins | Sample source:human kidney Factor:WIT 60mins | Sample source:human kidney Factor:WIT 45mins | Sample source:human kidney Factor:WIT 45mins | Sample source:human kidney Factor:WIT 60mins | Sample source:human kidney Factor:WIT 15mins | Sample source:human kidney Factor:WIT 15mins | Sample source:human kidney Factor:WIT 10mins | Sample source:human kidney Factor:WIT 10mins | Sample source:human kidney Factor:WIT 60mins | Sample source:human ccRCC Factor:WIT 60mins | Sample source:human ccRCC Factor:WIT 60mins | Sample source:human ccRCC Factor:WIT 45mins | Sample source:human ccRCC Factor:WIT 45mins | Sample source:human ccRCC Factor:WIT 60mins | Sample source:human ccRCC Factor:WIT 15mins | Sample source:human ccRCC Factor:WIT 15mins | Sample source:human ccRCC Factor:WIT 10mins | Sample source:human ccRCC Factor:WIT 10mins | Sample source:human ccRCC 2/3-phosphoglycerate 6.87E+07 2.44E+07 2.21E+07 2.15E+07 2.75E+07 3.75E+07 1.29E+07 1.16E+07 1.24E+08 6.31E+07 7.04E+07 4.27E+07 1.05E+07 2.25E+06 7.35E+05 9.37E+05 5.96E+07 8.67E+06 2.39E+07 1.84E+06 4.51E+07 2.15E+07 3.21E+07 74258646.7 68804163.49 19870498.31 17815091.96 14810950 9453304.076 14742098.04 12146013.01 31087069.37 37357285.2 41426292.41 34271666.62 37266377.07 469822.2296 19743481.51 38873326.69 8228889.981 6796341.821 6645639.299 9666353.989 a-ketoglutarate 3.91E+08 1.99E+08 3.12E+08 3.37E+07 4.95E+07 2.60E+08 1.08E+08 8.37E+07 1.90E+08 3.28E+07 1.13E+08 3.07E+08 4.03E+08 2.62E+08 2.02E+08 4.29E+08 8.71E+07 3.05E+08 2.97E+08 3.46E+08 3.48E+08 5.06E+08 4.52E+08 42854214.1 55181353.73 40245690.43 21778277.05 31208124.33 30992034.03 28162743.27 26786821.25 26433329.11 33640200.37 9290020.003 12073949.39 11233263.36 278940001.9 159201390.6 74178584.94 137004267 89001740.6 480571416.7 509762275.3 acetylcarnitine 2.77E+10 2.18E+10 3.01E+10 1.70E+10 2.82E+10 3.69E+10 5.09E+10 4.09E+10 3.37E+10 3.03E+10 3.38E+10 1.73E+10 1.59E+10 1.05E+10 2.23E+10 9.67E+09 2.04E+10 1.99E+10 2.31E+10 2.82E+10 1.77E+10 1.76E+10 1.47E+10 33920937287 28721336045 25361817950 29652661141 27211156274 31890088631 45149937110 35190687085 22241172534 28234518575 49593478616 52295882907 48464965643 4651202310 18281380214 45434025047 23946282825 34393073758 8693879428 10567482627 aconitate 1.74E+08 1.30E+08 2.46E+08 4.09E+07 8.12E+07 1.68E+08 6.68E+07 1.08E+08 1.65E+08 1.01E+08 1.20E+08 6.17E+07 8.19E+07 1.11E+08 4.70E+07 1.76E+08 4.58E+07 6.87E+07 9.40E+07 8.61E+07 1.33E+08 1.31E+08 1.44E+08 59569290.74 76474738.34 100987871.6 56658045.06 59040583.26 44350705.39 80466089.86 69361321.41 29651997.57 39195868.68 15184765.97 23925839.26 19039790.25 239003298 116120561.7 78683464.96 97955175.48 113995749.5 163160711.1 255636083.4 adenosine 5.30E+09 3.85E+09 2.97E+09 4.29E+08 4.84E+09 7.10E+09 3.63E+09 8.25E+09 4.36E+09 4.51E+09 3.71E+09 8.91E+08 1.09E+10 8.55E+09 5.25E+09 9.89E+08 2.99E+09 3.40E+09 7.97E+09 1.19E+10 6.27E+09 2.14E+09 6.51E+09 3057965862 2633422867 2541730670 1012655747 2220467735 2287190850 3758790593 3226307920 4588278698 4779231199 1110442528 287889358.6 275046717.4 894397807 2947997918 3244749724 12688083697 6162225129 445250822.3 1436319758 ADP-ribose 8.47E+07 7.50E+07 3.39E+07 5.39E+06 2.55E+07 1.38E+08 1.76E+07 2.14E+07 3.03E+07 2.72E+07 1.80E+07 6.54E+07 3.08E+07 1.54E+07 1.54E+07 5.55E+07 4.21E+07 1.02E+08 1.08E+08 4.63E+07 9.49E+07 2.29E+07 6.56E+07 12816796.17 19957807.69 12238004.69 12506851.41 9870839.655 20836831.53 7963111.254 18162974.99 22121718.46 16867597.65 18436998.56 23321829.91 21405977.38 8326139.069 142964702 29842688.37 36212682.64 32767803.33 28919137.74 18685412.41 Alanine 5.06E+08 4.45E+08 4.64E+08 2.30E+08 5.39E+08 6.06E+08 2.97E+08 3.76E+08 2.92E+08 4.31E+08 4.31E+08 3.68E+08 7.46E+08 1.18E+09 5.20E+08 1.42E+09 3.68E+08 1.00E+09 7.88E+08 4.00E+08 5.42E+08 5.63E+08 8.53E+08 538763087 636544478 647206038.4 445084350 701336694.1 763176643 478242086 503813403.7 824768406.3 659377668.9 435054024.9 521989173.9 643472673.9 1321877980 762007663 1063131947 745589177.8 434781098.8 1459661988 1300729244 AMP 5.74E+08 9.44E+08 5.88E+08 5.34E+08 1.51E+09 9.33E+08 4.68E+08 1.09E+09 7.84E+08 8.03E+08 9.06E+08 9.53E+08 6.71E+08 4.94E+07 1.05E+09 6.18E+08 8.85E+08 1.85E+09 5.05E+08 4.98E+08 7.81E+08 3.37E+08 1.03E+09 577534964.2 537851819.7 936514304.5 497164657.8 837295825.4 885565961 799194753.3 826200187.2 1551886333 929798564.4 229818184.6 408468989.1 368091725.7 34528213.41 873414041.9 728778039.8 867238261.6 745891111.7 211503377.1 401960383.2 arginine 2.63E+09 2.00E+09 1.94E+09 1.63E+09 1.90E+09 2.69E+09 1.73E+09 1.81E+09 2.13E+09 2.17E+09 2.18E+09 4.33E+09 5.06E+09 6.44E+09 3.45E+09 8.85E+09 2.74E+09 2.76E+09 2.47E+09 3.17E+09 3.62E+09 3.39E+09 2.15E+09 3946875809 2730892654 2833623295 2042886936 1872139675 2107517016 2387186435 1829785620 2212370458 2392865373 5608661591 2463423813 3016895339 5742904676 3906771994 4210784544 5339738036 3547515926 3510608636 6970405324 aspartate 3.88E+08 5.21E+08 3.24E+08 1.01E+08 2.20E+08 4.13E+08 2.32E+08 3.17E+08 2.81E+08 1.54E+08 2.26E+08 4.24E+08 7.85E+08 8.25E+08 8.52E+08 6.15E+08 3.54E+08 3.39E+08 3.46E+08 5.73E+08 7.39E+08 3.72E+08 8.16E+08 412847880.1 401955128.9 344454249.6 73401929.54 111393856 109704318 179190135.3 132826366.6 179354558.2 141151978.1 311267418.6 194798546.7 243498430.5 385023158.5 386321846 225177666.3 616479184.4 301903105.6 411946829.8 644110385.1 ATP 2.58E+08 1.92E+08 1.75E+08 2.09E+07 1.24E+08 1.11E+08 1.79E+08 1.08E+08 4.31E+08 1.57E+08 2.60E+08 3.26E+08 4.80E+07 2.34E+07 3.90E+06 1.16E+07 1.64E+07 1.77E+07 1.10E+08 1.42E+07 6.37E+07 3.77E+07 6.04E+07 188745193.2 371569710.4 140142140.7 40095832.69 48460939.79 23585442.96 82258281.83 48764944.73 73056108.24 163058067.6 216091234.5 209101378.2 307823035.9 1431675.092 50527717.82 29877876.06 36388685.15 56940041.41 28656641.13 15508741.98 Citrate 4.92E+09 7.86E+09 4.32E+09 1.61E+09 6.51E+09 5.02E+09 4.09E+09 4.67E+09 8.59E+09 8.20E+09 7.78E+09 5.39E+09 5.34E+09 1.06E+09 7.39E+08 3.44E+09 3.58E+09 3.72E+09 1.94E+09 1.33E+09 6.43E+09 4.07E+09 1.07E+10 5543073405 5617547717 6868124964 4326919733 1638551770 3850332848 6603715440 4089645294 3904571691 2872678835 2138797891 1979702088 3016885167 1587604831 4124750264 4070651590 2187874905 1990270378 3866100519 2629120697 dihydroxyacetone phosphate 2.84E+07 8.32E+06 1.38E+07 2.46E+07 9.75E+06 1.80E+07 1.00E+07 7.92E+06 9.26E+06 9.11E+06 9.17E+06 5.27E+06 7.50E+06 1.72E+06 3.34E+06 4.47E+06 4.21E+06 8.52E+06 1.21E+07 7.27E+06 1.51E+07 7.49E+06 1.16E+07 16373953.76 16366369.12 8904599.83 11358498.27 9717595.968 16945624.28 7983705.116 15669028.64 11023092.13 13501326.23 24468809.97 11823697.47 22963210.96 964380.192 15553938.65 22364896.63 20861449.64 13544172.35 5649658.25 8605507.086 disaccharide 2.79E+07 3.42E+07 2.59E+07 3.72E+07 3.23E+07 4.55E+07 1.91E+07 2.52E+07 2.79E+07 1.83E+07 2.58E+07 1.45E+07 4.04E+07 4.60E+07 3.38E+07 7.09E+07 1.11E+07 1.96E+07 1.08E+07 2.26E+07 3.48E+07 1.63E+08 2.84E+07 23474113.54 34662874.45 34997172.82 40929806.92 71537158.2 23880346.53 17981546.89 29438019.46 33718102.55 28067896.07 2443415.269 4458382.85 2933067.254 78309832.99 29988686.98 5071660.848 19247044.62 8598719.168 55107092.96 62320605.6 erythritol 1.58E+07 9.58E+06 1.10E+07 1.25E+07 8.40E+06 9.02E+06 4.38E+06 5.34E+06 4.64E+06 5.75E+06 5.05E+06 4.46E+06 7.83E+06 1.15E+07 3.83E+06 9.07E+06 3.13E+06 3.94E+06 4.15E+06 3.10E+06 6.85E+06 7.64E+06 6.19E+06 9072362.675 7130350.658 8874266.858 13308013.63 7687202.784 8632291.4 9795074.815 13302570.38 4774745.389 7020291.881 10948712.23 4629335.409 5789882.403 10313699.1 5019642.705 18400694.54 5549347.169 4011493.357 9671212.35 9382810.913 erythronate 8.03E+08 4.55E+08 4.27E+08 3.79E+08 5.78E+08 4.56E+08 1.63E+08 4.28E+08 1.01E+09 8.54E+08 8.71E+08 5.07E+08 4.97E+08 3.51E+08 3.77E+08 4.01E+08 3.56E+08 4.59E+08 3.34E+08 2.59E+08 3.73E+08 4.60E+08 2.35E+08 489084475.4 424052368 492412227.2 707275297.6 701179097.3 343689603 542141883.1 637040646.1 641731811.7 999149405.2 345919493.4 204132683.5 223986411.4 247283789.5 374134614.3 280986220.6 287227624.9 328307903.6 466471204.1 480542843.8 fumarate 8.89E+07 6.96E+07 6.03E+07 4.58E+07 9.41E+07 1.07E+08 9.07E+07 7.38E+07 1.04E+08 1.09E+08 1.64E+08 6.09E+07 5.78E+07 1.03E+07 7.20E+07 4.45E+07 1.04E+08 1.21E+08 1.20E+08 6.79E+07 8.29E+07 9.30E+07 5.88E+07 164283489.8 152305333 104193169.5 66007675.69 114431068.3 48612784.74 170229532.6 130397375.9 116740333.8 171310421.3 67771338.31 44766760.55 57073496.19 12009521.9 53238889.6 115643898.8 118726691.1 118061145.8 26713983.01 44212054.86 gluconate 1.77E+09 1.11E+09 1.26E+09 4.64E+08 8.43E+08 7.37E+08 4.17E+08 6.12E+08 8.89E+08 6.80E+08 1.11E+09 7.04E+08 1.27E+09 5.90E+08 1.31E+09 1.58E+09 8.57E+08 3.87E+08 3.65E+08 2.83E+08 1.51E+09 1.89E+09 8.85E+08 1098278498 1096305754 1200912691 852348271.9 1138086200 569746196.2 808601194.3 602453805.9 1005445089 1136821770 1340037051 1381106673 1693259125 602257199.1 4028879118 1325286482 381099366.9 261836165.7 1615116677 1568640720 glucuronate 1.59E+08 1.91E+08 1.98E+08 7.66E+07 1.19E+08 1.27E+08 1.02E+08 1.56E+08 7.56E+07 5.39E+07 8.06E+07 3.51E+07 8.57E+07 7.10E+07 3.57E+07 7.17E+07 1.95E+07 1.41E+07 1.76E+07 2.48E+07 5.66E+07 6.76E+07 8.06E+07 126226023.5 159753758.4 185636647.2 177568623.1 217390763.8 87814611.55 67053418.42 79011533.94 84076342.62 64539494.68 5575057.945 4907948.046 2908748.899 52895597.64 38433360.44 7368638.611 37179545.37 10679569.5 100108681.3 82431616.81 glutamate 9.68E+08 1.27E+09 9.45E+08 3.19E+08 9.56E+08 1.02E+09 6.38E+08 1.45E+09 1.20E+09 7.61E+08 1.09E+09 1.22E+09 1.64E+09 1.26E+09 1.46E+09 1.52E+09 9.98E+08 1.93E+09 1.31E+09 1.57E+09 1.33E+09 1.28E+09 1.72E+09 760049897.7 925744338.1 884871831.8 278627567.1 793322989 596279181.9 711541469.3 571882458 1214334739 1007931362 1153796202 886779755.9 1138120233 665364852.2 1182669441 993071414.6 1560643109 1436992930 1888924276 1827950051 glutamine 4.61E+08 3.27E+08 3.48E+08 1.53E+08 1.71E+08 3.69E+08 3.08E+08 2.06E+08 2.09E+08 2.15E+08 1.53E+08 4.31E+08 1.05E+09 1.11E+09 4.71E+08 1.03E+09 1.67E+08 3.74E+08 3.25E+08 3.61E+08 5.66E+08 4.58E+08 4.42E+08 116815578.7 124192062 96016639.25 147936303.2 74075289 190838653.9 92101557.44 156741753.9 109624055 82685161.99 124992114.8 104284834.7 138586291.7 846073655.8 374568388.5 309566816 431019713.7 207206685.7 867959032.9 781790171.8 glyceraldehyde 3-phosphate 8.28E+07 3.48E+06 2.49E+07 3.07E+07 8.97E+06 5.61E+06 6.74E+06 3.06E+06 4.62E+06 9.75E+06 8.91E+06 4.61E+07 7.21E+06 1.78E+06 1.18E+06 3.82E+06 1.12E+06 9.11E+06 1.99E+07 2.87E+06 1.07E+07 8.45E+06 5.77E+06 32442748.52 24408622.89 22964996.27 18193205.27 12793156.88 7542000.348 12880436.62 11810255.93 10970920.09 10135753.49 10605172.02 13068267.71 14092555.34 1455092.9 18548192.07 7973253.18 14625554.45 31985752.78 5199651.456 13133833.71 glycerate 1.86E+07 1.31E+07 1.01E+07 1.70E+07 1.52E+07 2.92E+07 1.09E+07 1.48E+07 1.01E+07 5.71E+06 9.01E+06 1.69E+07 3.20E+07 4.20E+07 2.93E+07 2.88E+07 1.74E+07 5.20E+07 2.54E+07 2.78E+07 2.35E+07 2.80E+07 1.75E+07 7607523.5 5133768.936 5474124.921 7272094.945 20015873.08 9404060.547 17882306.34 15604869.45 5119457.012 6370085.255 7633707.859 4337131.362 6584731.281 28895826.63 18424722.41 11505119.6 42226793.49 28162920.66 35835228.42 22831725.35 glycerol 3-phosphate 9.82E+07 1.10E+08 7.12E+07 1.05E+08 1.73E+08 1.42E+08 1.45E+08 1.98E+08 2.57E+08 4.72E+08 7.25E+08 6.41E+07 1.23E+08 2.34E+07 1.65E+08 1.01E+08 1.08E+08 8.50E+07 1.01E+08 1.40E+08 2.00E+08 9.01E+07 1.82E+08 737552465.3 767738432.3 820465211.9 333618754 701109677.5 500273776.6 983488740.2 513603526.6 946685287.8 1036576291 254373734.9 214976531.7 255991425.7 10271430.19 201390977.3 323268868.3 386942446.5 256281774.5 105039517.2 117173692.8 glycerol 3.14E+07 4.00E+07 2.04E+07 8.46E+07 4.58E+07 5.57E+07 4.31E+07 6.42E+07 1.34E+07 2.47E+07 2.36E+07 1.94E+07 3.57E+07 2.02E+08 1.46E+08 1.66E+08 1.02E+08 9.30E+07 7.61E+07 7.13E+07 1.38E+08 4.68E+07 4.38E+07 68505013.03 36832077.79 66302305.3 83691525.59 126268734.4 100402968.4 92553567.62 77218565.85 47681267.02 79491832.98 88075811.67 48052921.25 61713521.75 305748852.7 113881124.9 130812095.1 94736490.66 65430912.85 62438402.29 43760305.59 GMP 7.23E+07 6.86E+07 4.59E+07 4.63E+07 1.63E+08 1.32E+08 4.36E+07 8.89E+07 5.71E+07 7.49E+07 8.95E+07 9.10E+07 3.84E+07 4.85E+06 8.19E+07 3.92E+07 1.11E+08 1.68E+08 7.31E+07 2.87E+07 6.98E+07 2.76E+07 6.98E+07 61868719.2 56517312.45 90243332.18 45338589.12 101792633.4 50413703.99 130480495.1 113462673.7 128182003.2 111620348.1 17461268.36 19014723.07 21362754.79 1832352.884 86582676.46 41700451.94 76541093.56 59394718.36 18830184.87 27045429.4 guanosine 1.36E+08 8.21E+07 4.31E+07 2.58E+07 4.64E+07 2.00E+08 4.12E+07 9.37E+07 4.77E+07 7.83E+07 5.25E+07 3.69E+07 4.15E+08 2.02E+08 1.19E+08 3.49E+07 3.15E+08 1.81E+08 3.32E+08 4.61E+08 1.69E+08 5.05E+07 1.18E+08 110412580.4 131254201.5 66055045.06 54338868.96 48860428.36 45122166.9 98579188.95 109115154.2 85347107.63 120808154.3 71583825.54 61441397.61 52177068.11 15826280.79 91600263.4 65498093.25 319498886.7 139608657.3 37646236.21 26637861.83 hexitol 8.51E+08 2.49E+08 5.75E+08 2.43E+09 4.03E+09 3.22E+09 8.72E+08 1.00E+08 4.78E+09 3.18E+09 4.29E+09 1.76E+08 2.91E+08 1.50E+08 1.28E+09 3.63E+08 1.12E+08 9.53E+08 1.03E+09 1.11E+08 3.80E+09 2.97E+09 2.01E+09 321842448.6 326050713 351214965 742276846.9 148655934.5 3260733109 128163244.4 207133420.5 3055910461 3450949742 453428188.3 177273340.9 275504449.8 212652875.8 157688842.1 1286592821 141464790.6 104131410.5 3171069054 3603555117 hexose phosphate 1.26E+08 8.32E+07 9.19E+07 1.48E+08 1.06E+08 1.36E+08 1.31E+08 1.49E+08 1.66E+08 9.93E+07 1.32E+08 9.27E+07 1.16E+08 1.30E+07 1.61E+08 4.31E+07 7.21E+07 1.06E+08 1.31E+08 6.53E+07 9.01E+07 9.13E+07 7.64E+07 113192951.3 127658130.3 101952843.1 78737812.56 61953984.89 115437232.2 116663848.3 109984001.4 74004651.58 92515458.8 514787304.8 395139478.8 514906475.7 7725653.7 139304356.7 340560423.1 212076540.2 218948637 70878221.97 66401742.3 glucose 6.51E+08 5.65E+08 4.66E+08 2.84E+08 2.85E+08 3.59E+08 2.65E+08 2.46E+08 3.43E+08 2.07E+08 3.18E+08 2.74E+08 1.12E+09 1.12E+09 4.91E+08 1.14E+09 2.51E+08 1.47E+08 1.31E+08 3.50E+08 4.99E+08 3.77E+08 5.01E+08 363068092 410517712.1 364623987.6 179920989.8 218765384.7 118071854.4 160547308.1 167967940 219683760.3 180577194 77965271.96 96117167.67 104016405.4 964225655 313169924.7 91755321.18 228013736.6 87658439.27 815571731.1 623985380.8 IMP 5.35E+07 3.83E+07 3.67E+07 3.55E+08 1.34E+08 1.02E+08 1.60E+08 2.64E+08 2.55E+08 4.69E+08 1.83E+08 7.01E+07 1.25E+07 2.05E+06 3.58E+07 3.53E+06 1.10E+08 2.64E+08 1.03E+08 4.46E+07 8.81E+07 2.39E+07 1.01E+08 80006875.55 87499517.87 81378216.26 136949016.2 33600850.58 127352246.4 173915214.5 696307628.9 358395812 238761882.5 24222790.11 29410241.31 23667252.94 162762.7838 37777191.54 42013968.64 86160715.27 68118628.11 19711737.93 14826263.59 inosine 4.48E+08 5.94E+08 2.07E+08 1.80E+08 4.13E+08 8.14E+08 6.80E+07 2.35E+08 2.21E+08 3.47E+08 6.08E+08 4.08E+08 1.01E+09 2.68E+08 6.02E+08 3.58E+08 1.94E+09 1.65E+09 1.17E+09 1.31E+09 9.27E+08 2.27E+08 8.28E+08 807847327.3 1271845812 840211454.3 316391699.8 582708615.9 430912682.4 1082284828 514775594.1 1119440648 974446871.8 878550735 710489396.7 878700839.9 203936979.2 731383108.3 683778784.5 898108792.3 525775562.2 304870026.6 233369953.7 Lactate 9.22E+09 2.33E+09 5.37E+09 6.47E+09 3.08E+09 5.33E+09 2.14E+09 1.27E+09 1.15E+09 5.60E+09 3.80E+09 1.16E+10 7.69E+09 1.13E+10 2.95E+09 1.62E+10 3.34E+09 7.26E+09 8.53E+09 4.27E+09 1.50E+10 2.17E+10 1.45E+10 14958094264 11390899707 12322622298 15834513786 9559309395 16908175776 9423038655 11540837113 9365188240 11146732741 15550589914 12824978401 12796442346 22977932145 13380842668 22852947364 13595854835 10075281293 28781766853 32179211687 malate 2.01E+09 1.73E+09 1.46E+09 1.11E+09 2.18E+09 2.45E+09 2.06E+09 1.75E+09 2.45E+09 2.35E+09 3.64E+09 1.63E+09 1.50E+09 2.07E+08 1.64E+09 1.06E+09 2.23E+09 2.64E+09 2.50E+09 1.42E+09 1.96E+09 2.10E+09 1.45E+09 3729896256 3510049596 2421272492 1481867572 2387563904 1141266398 3560000638 2837870554 2711518965 3556162048 1530950928 1094880628 1349109856 271341402.1 1252143537 2342706886 2560688267 2420045118 736961304.6 1137178657 N-acetylaspartate 5.64E+08 1.72E+09 1.51E+09 1.23E+08 3.93E+09 3.14E+09 4.20E+09 6.23E+09 6.07E+09 6.34E+09 5.38E+09 2.76E+08 3.81E+08 6.39E+08 3.67E+08 4.20E+08 1.93E+08 4.42E+08 4.16E+08 3.49E+08 4.93E+08 2.21E+08 8.40E+08 1148110394 1324413115 1350116083 5160614137 3432058360 4435533989 3214968776 6736870812 6441001427 5556069929 175033037 241628593 188410684.7 641798222.3 290344571.2 297949381.2 490488301.1 275103626.6 540100305.2 499462215 N-acetylglutamate 8.54E+07 8.29E+07 8.61E+07 2.03E+07 1.56E+08 6.98E+07 8.58E+07 2.87E+08 2.07E+08 1.09E+08 2.80E+08 1.01E+08 1.36E+08 3.86E+08 5.35E+07 1.57E+08 2.34E+07 9.51E+07 4.13E+07 8.66E+07 6.01E+07 6.00E+07 5.89E+07 72842816.71 87793394.85 77619361.81 27943813.14 145773398.1 60079381.98 153182589.2 76287812.52 236281938.3 221510876.5 339453710.8 148289995.9 285292491.4 502437144 50640241.45 55117000.77 52451915.21 47443709.42 86430985.56 86023850.89 orotate 1.82E+07 4.75E+06 1.08E+07 4.11E+07 3.58E+06 8.29E+06 4.00E+06 3.48E+06 4.12E+06 3.91E+06 3.79E+06 1.62E+07 6.40E+06 6.71E+06 1.90E+07 5.19E+07 9.49E+06 4.43E+06 2.56E+06 3.11E+07 2.44E+07 6.10E+07 1.25E+07 9617325.168 7866495.66 7901034.061 39294949.71 27201411.81 5159964.014 7763973.207 11849182.59 5332214.04 4582291.001 691652.8319 836349.6984 842386.8798 59449399.61 22894502.03 3489393.612 21180111.09 32850148.71 26326543.79 37156700.81 orotidine 4.15E+07 3.77E+07 3.28E+07 1.70E+08 3.24E+07 5.91E+07 9.11E+06 3.48E+07 3.02E+07 2.57E+07 3.40E+07 9.78E+06 1.50E+07 1.29E+07 3.53E+08 2.68E+08 4.80E+08 1.83E+07 2.42E+07 2.35E+07 4.90E+07 3.99E+07 3.82E+07 38969326.77 43560154.28 44095810.5 400022226.3 671488701.8 23721855.36 26296750.3 25052489.03 33288922.42 35329661.12 2493275.23 2301294.212 3200012.733 185754581.4 381079057.3 15602093.47 29125603.65 14670865.51 23914556.14 17353336.37 pentitol 3.46E+07 1.54E+07 2.32E+07 5.63E+07 2.11E+07 2.92E+07 1.72E+07 1.53E+07 2.55E+07 2.13E+07 3.02E+07 1.37E+07 1.91E+07 1.83E+07 5.21E+07 2.94E+07 1.46E+07 1.61E+07 1.98E+07 1.69E+07 3.21E+07 4.28E+07 2.44E+07 34507515.65 24789745.04 26138120.4 43424645.35 33246788.52 36490837.15 36655243.7 30623092.77 23607665.39 39434480.82 50222224.14 14935920.08 19879762.14 15957118.11 12901866.16 84324230.78 17977094.11 15763036.23 36368228.65 31666809.76 pentose phosphate 1.41E+08 1.14E+08 1.06E+08 1.35E+08 1.28E+08 2.16E+08 8.16E+07 1.63E+08 9.73E+07 9.18E+07 1.05E+08 1.63E+08 9.53E+07 5.56E+06 7.11E+07 1.60E+07 2.97E+08 2.13E+08 1.71E+08 1.27E+08 1.23E+08 6.18E+07 1.05E+08 80406948.07 103963902.5 61167863.65 63855917.75 43976625.36 77911957.97 85386237 120329628.1 186894688.9 131320373.8 64124922.31 57554150.06 46441498.85 1540134.959 112939140.7 96604816.88 110871659.1 88149846.93 31003824.66 26388689.48 phosphoenolpyruvate 1.60E+07 7.12E+06 5.38E+06 2.91E+06 5.39E+06 2.10E+07 4.77E+06 5.36E+06 2.28E+07 7.90E+06 1.12E+07 1.15E+07 6.18E+06 7.63E+04 8.50E+05 1.59E+06 8.14E+06 3.97E+06 1.52E+07 1.76E+06 1.52E+07 8.08E+06 6.98E+06 31877572.48 30337600.5 9864785.375 3813295.626 4649855.725 4560825.837 4775655.072 4634570.703 3880181.284 4699819.037 21981876.74 14636619.16 13532682.51 89886.05741 9173896.816 11632321.24 6980967.636 5791621.779 3681816.41 4664615.777 Proline 6.54E+09 5.91E+09 5.71E+09 6.97E+09 5.55E+09 6.13E+09 3.80E+09 3.04E+09 2.84E+09 3.05E+09 3.04E+09 8.04E+09 7.81E+09 1.25E+10 6.83E+09 1.32E+10 4.80E+09 7.32E+09 6.02E+09 5.34E+09 9.48E+09 1.18E+10 1.20E+10 5172799138 5343721964 5411861284 4498767276 5011779541 6423207632 3567188837 3266956830 4611246335 3794007277 4422396092 3840085036 3451174479 17021834132 10670587839 7205904344 7376893309 4650393895 15686589954 14126859568 propionylcarnitine 1.11E+09 8.84E+08 6.20E+08 5.10E+08 1.65E+09 1.03E+09 1.33E+09 8.96E+08 1.73E+09 2.01E+09 3.49E+09 8.58E+08 7.31E+08 4.78E+08 7.60E+08 5.39E+08 1.59E+09 1.30E+09 1.85E+09 1.50E+09 7.45E+08 9.19E+08 5.82E+08 1357573415 986310095.2 994730895.8 1024618888 1315569416 873626838.3 7478608490 1749936723 2429906440 3341872082 2666076097 2480018653 1848360939 370921222.4 463526601.4 1890821166 1205134116 1949467890 609911246.5 922120090 pyroglutamate 4.18E+08 2.98E+08 2.73E+08 2.48E+08 3.80E+08 4.41E+08 3.62E+08 3.58E+08 4.99E+08 4.46E+08 5.56E+08 2.70E+08 6.03E+08 6.89E+08 3.95E+08 8.58E+08 3.74E+08 6.02E+08 4.12E+08 5.79E+08 3.79E+08 4.44E+08 5.38E+08 434071364.3 332597174 351030820.4 228766038.8 323571338.8 361547956.9 416973014.4 378984221.4 445180245.1 586582712.2 184588335.6 141322888.5 155924348 767400929.5 335009636.8 429904904 437307163.8 304612682.3 985055953.6 522520489.2 S-adenosylhomocysteine 7.38E+07 9.63E+07 4.24E+07 4.87E+07 1.22E+08 9.31E+07 2.59E+07 6.19E+07 8.92E+07 8.00E+07 1.34E+08 2.04E+08 7.21E+07 8.80E+06 6.96E+07 1.85E+07 3.46E+08 1.53E+08 2.29E+08 7.40E+07 5.82E+07 4.13E+07 8.44E+07 127291543.1 163583341.7 137764716.5 58414389.85 232643638.1 69881561.15 161732217 61406250.26 166880258.4 174282618.5 234263462.8 288452351.4 300104332.8 8142927.951 189953233.2 163729857.3 50615515.48 30359688.45 28554871.35 42256686.67 S-adenosylmethionine 1.31E+08 8.65E+07 1.11E+08 4.27E+07 4.20E+07 7.91E+07 6.28E+07 7.30E+07 8.50E+07 5.52E+07 7.18E+07 1.19E+08 1.55E+08 4.20E+07 1.02E+08 6.09E+07 2.37E+07 1.59E+07 3.90E+07 6.15E+07 5.31E+07 4.34E+07 5.23E+07 116675952.8 116799159.3 108517132 45462413.59 27180128.71 66427782.04 52283011.99 57107628.48 47707295.79 42072080.87 214701794.9 141525788.7 179289587.4 7990120.908 50897909.43 174380164.8 94394423.94 41035574.51 61078143.23 121847057.4 sedoheptulose 7-phosphate 1.93E+07 1.57E+07 1.22E+07 5.77E+06 2.26E+07 1.95E+07 1.45E+07 2.00E+07 2.16E+07 1.04E+07 1.61E+07 2.20E+07 3.22E+07 1.69E+06 1.18E+07 6.79E+06 1.51E+07 1.20E+07 2.05E+07 8.59E+06 2.08E+07 2.00E+07 1.70E+07 9526117.188 12890544.85 10213752.31 6208661.741 7798598.591 7712941.814 10801982.21 8381046.392 11635039.57 8647852.739 109605651.4 123425368.2 136443383.4 289362.3982 29637271.87 55902522.27 28528140.93 52696696.3 10665249.63 13410305.55 Succinate 1.08E+08 9.89E+07 8.57E+07 1.98E+08 1.98E+08 1.17E+08 7.96E+07 1.34E+08 1.74E+08 2.74E+08 3.86E+08 7.14E+07 7.56E+07 9.01E+07 7.89E+07 1.23E+08 1.26E+08 1.12E+08 1.16E+08 1.16E+08 1.15E+08 1.28E+08 1.10E+08 437992724 333658649.3 544739013.9 514552684.8 468903438.4 459072662.2 952946155.8 701296241.2 577084611.7 811960635.5 398487180.6 289101510.3 285538750.9 101479462.9 116949278.7 480445991.4 338703975.9 285186175 180971980.8 146070412.5 UDP-GlcNac 8.35E+08 9.96E+08 5.08E+08 2.06E+08 1.11E+09 5.31E+08 5.26E+08 9.73E+08 8.99E+08 5.07E+08 8.06E+08 5.62E+08 3.20E+08 6.14E+07 2.54E+08 1.71E+08 8.53E+08 1.02E+09 8.55E+08 5.50E+08 3.82E+08 3.46E+08 4.14E+08 697342068.4 846616964.1 783171669 342243048.6 957973232.5 357297267.2 670686915.3 479522414.8 838779759.8 672792001.4 832565661.4 1009820426 891181899.7 50924309.1 1895467899 673622617.8 694631882.2 683402237.1 90005298.88 164212951.8 UDP-glucose 3.21E+08 4.00E+08 3.05E+08 1.81E+08 2.91E+08 3.00E+08 1.92E+08 3.58E+08 3.44E+08 1.55E+08 2.43E+08 3.17E+08 1.72E+08 3.43E+07 1.42E+08 8.22E+07 2.26E+08 3.51E+08 3.42E+08 2.61E+08 2.02E+08 1.33E+08 2.32E+08 69620364.19 85648927.49 69514509.13 47206852.49 49532169.91 36184401.52 172305152.6 120214034.5 93603373.96 81117378.49 141569713.4 110491511 129518716.3 11225644.33 352015481.8 81654294.39 228891143.5 226604199.2 26345959 74898903.99 UDP-glucuronate 1.15E+08 9.33E+07 2.46E+07 3.20E+07 1.06E+08 4.85E+07 5.91E+07 4.82E+07 1.11E+08 2.40E+07 1.09E+08 6.32E+08 1.71E+07 1.89E+06 3.22E+06 9.38E+06 2.36E+08 1.28E+08 9.03E+07 4.08E+07 3.15E+07 2.93E+07 1.53E+07 27588322.21 22150817.63 16479737.05 9420847.018 7363911.006 3354666.434 20388142.15 11082445.58 22075734.98 50927112.24 32166382.39 48572892.32 41427791.01 5555763.86 89195407.56 8936374.474 15176292.38 62240723.17 7519220.618 9570104.165 1,11-undecanedicarboxylate 5.70E+06 1.17E+07 5.36E+06 4.31E+06 2.40E+07 1.58E+07 7.75E+06 3.09E+07 3.27E+06 2.61E+06 5.25E+06 3.50E+06 5.48E+06 2.06E+07 1.13E+07 1.08E+07 5.41E+06 1.11E+07 1.92E+07 2.15E+07 1.05E+07 1.04E+07 8.86E+06 3697485.013 4123849.979 4136724.844 2678734.688 5369939.712 7655306.614 8132812.181 14282598.19 5630129.454 3366675.451 1722250.441 2675962.566 2518175.422 22645202.3 10702690.91 5058241.035 36431864.29 11787490.06 10606364.13 9449535.58 1,5-anhydrosorbitol 3.70E+08 3.05E+08 2.28E+08 2.79E+08 5.16E+07 9.14E+07 2.02E+08 1.28E+08 3.28E+08 2.18E+08 2.47E+08 4.37E+08 9.17E+08 9.38E+08 7.91E+08 1.64E+09 3.94E+08 4.44E+07 5.03E+07 2.36E+08 6.10E+08 5.95E+08 5.01E+08 197372801.7 133477218.1 135611862.1 227024000.9 199042168.4 42413027.49 135761545.1 143186641 197530971.9 204243059 100437632.2 77671153.61 71061989.57 1373796956 596127301.9 41007488.18 257931643.9 136094185.9 967435982.4 1097709442 1,5-naphthalenediamine 1.82E+07 7.05E+06 7.50E+06 8.24E+06 5.90E+06 1.22E+07 7.68E+06 5.50E+06 1.24E+07 9.62E+06 1.56E+07 2.04E+07 3.22E+07 3.89E+07 1.41E+07 3.08E+07 1.01E+07 6.10E+06 9.94E+06 1.43E+07 3.08E+07 3.75E+07 2.19E+07 19969653.03 11226394.51 10679619.32 10646177 7318617.954 8688603.456 19527529.71 11629791.9 9405849.136 15627068.86 12603468 7058006.973 5901129.329 19299296.08 10257927.03 18006331.07 31498904.05 14583433.36 54404280.61 53706897.23 10-hydroxydecanoate 2.97E+06 6.50E+06 2.90E+06 1.97E+06 1.08E+07 1.31E+07 6.53E+06 1.65E+07 5.45E+07 4.69E+07 1.10E+08 3.63E+06 5.78E+06 1.68E+07 5.72E+06 1.29E+07 2.88E+06 6.88E+06 9.39E+06 1.41E+07 1.74E+08 1.12E+08 1.54E+08 2051684.298 2358859.8 2171957.343 1472494.79 3904723.68 5815852.344 5174848.927 8445978.369 22474663.83 19448614.84 992965.5114 1866274.275 2023914.53 25196493.8 12482444.94 4072344.062 18703052.8 5251290.798 133942761.3 47977637.89 11-eicosenoate 1.86E+07 1.55E+08 1.43E+07 3.41E+06 2.82E+07 2.82E+07 1.37E+07 4.16E+07 3.54E+06 3.89E+06 4.02E+06 6.95E+07 1.68E+07 1.98E+07 1.65E+07 1.63E+07 1.91E+07 7.61E+07 2.33E+07 6.40E+07 2.29E+07 4.03E+07 6.83E+07 11660934.09 9762402.675 10877520.72 5918434.72 14147365.39 22883556.7 16610938.53 17446061.39 10205174.08 5795672.791 17487967.06 20993525.25 26655837.42 30997515.58 14689010.47 29193081.56 63747775.91 35801616.84 83076255.42 76601756.51 14(Z)-Eicosenoate 2.95E+05 1.81E+05 5.44E+05 3.76E+05 1.51E+05 7.58E+04 3.69E+04 2.26E+03 1.60E+03 1.69E+05 3.12E+05 4.10E+05 3.35E+03 3.79E+03 2.37E+03 4.71E+03 2.74E+04 1.55E+03 1.32E+03 6.54E+04 4.57E+05 6.81E+05 8.21E+04 2033829.215 1246349.981 1677748.585 5096635.943 4735237.155 4179610.024 3039787.313 3583324.194 2112514.563 941251.3983 1287545.81 2465681.908 3476558.622 90555.58611 662142.8789 1591746.012 762509.9569 213204.8498 1403990.854 499065.2153 16-hydroxyhexadecanoate 8.49E+06 2.25E+07 9.08E+06 6.35E+06 2.74E+07 1.87E+07 8.83E+06 3.57E+07 3.05E+06 4.04E+06 4.78E+06 7.31E+06 6.85E+06 3.98E+07 1.36E+07 2.18E+07 9.64E+06 1.81E+07 1.50E+07 2.39E+07 1.81E+07 1.71E+07 2.66E+07 6437458.833 6738318.159 7017847.354 4987810.306 18678499.15 9820681.733 7774915.166 12891008.03 11108996.39 4740248.932 2441110.71 4573053.164 7172055.627 45777384.82 32455899.7 7073615.459 24578808.81 9709189.894 18094546.25 18437819.34 1-aminocyclopropanecarboxylate 2.91E+07 4.61E+07 3.48E+07 6.28E+06 3.27E+07 3.46E+07 2.26E+07 7.42E+07 5.05E+07 3.17E+07 2.78E+07 3.30E+07 3.16E+07 1.66E+07 2.75E+07 2.84E+07 2.55E+07 7.04E+07 4.65E+07 3.74E+07 5.38E+07 3.27E+07 8.50E+07 30429462.72 49097948.38 48582265.83 14037469.7 33239531.23 36829126.76 30615026.98 24014177.86 60336569.74 51060520.2 65795231.58 51373528.61 68515560.99 31728012.8 30313916.81 63966469.53 47274336.58 52094589.38 48797911.52 74841064.69 1-methyladenosine 3.16E+08 2.26E+08 2.35E+08 9.04E+07 1.56E+08 1.81E+08 5.29E+07 1.30E+08 1.38E+08 9.99E+07 1.36E+08 5.12E+07 7.46E+07 7.75E+07 6.07E+07 6.05E+07 3.24E+07 4.07E+07 4.72E+07 5.45E+07 6.60E+07 6.87E+07 4.76E+07 419366157.8 379431511.9 440753726.5 177672054.7 316384927.5 100924467.1 199798440.1 219660926 98431150.07 130401885.9 38827755.12 35039341.07 35011674.54 54259891.82 52107692.56 47089099.38 82091362.96 53269797.62 49240298.71 73180272.4 1-methylnicotinamide 6.36E+08 3.38E+08 3.51E+08 8.47E+07 2.50E+08 3.76E+08 7.89E+07 1.51E+08 1.61E+08 1.02E+08 1.46E+08 5.91E+08 1.79E+08 7.74E+07 2.19E+08 6.39E+07 4.62E+08 4.29E+08 6.27E+08 3.77E+08 1.00E+09 6.58E+08 5.72E+08 713655371.3 459650689.3 508191274.6 181939653.5 284368325.9 188677978.5 303488546.4 212973606.3 100976467.4 166269898 820185923.3 555368608.5 558913621.2 22341607.17 326185979.3 645511933.1 406128579.1 399023887.7 235819268.5 295710665.5 1-methylurate 2.17E+08 7.32E+07 1.10E+08 1.76E+07 8.26E+07 5.07E+07 1.80E+07 6.77E+07 3.96E+08 2.35E+08 3.49E+08 8.16E+06 3.30E+07 4.15E+07 5.20E+06 1.49E+07 1.99E+06 5.82E+06 4.14E+06 1.01E+07 1.46E+08 1.57E+08 1.65E+08 124587543.8 144195061.3 167013563.7 25563882.69 30785666.8 50323191.01 91521318.81 95370984.44 268480734.6 329967444.8 1841447.988 2203771.138 1724893.844 17652546.75 6466824.641 3705728.271 25442772.05 5093934.883 229096559.3 230489784.6 2-(tert-butyl)-1,3-thiazolane-4-carboxylate 3.92E+07 9.64E+07 3.62E+07 1.39E+07 1.34E+08 2.97E+07 1.42E+07 9.53E+07 1.20E+08 8.27E+07 1.09E+08 6.09E+07 5.40E+07 3.69E+06 4.11E+07 2.37E+07 5.10E+07 2.50E+07 3.54E+07 2.88E+07 4.91E+07 4.46E+07 1.03E+08 72127872.1 97486676.88 103279373 32191121.46 122338190.7 35203706.03 55389567.93 25728304.86 192789728.2 107971572.7 52293503.27 44784836.55 43848539.25 5235457.258 46713430.01 35276755.52 38369716 11991887.95 7703899.95 47713083.7 2,2,6,6-tetramethyl-4-piperidinol 1.14E+08 1.28E+08 6.31E+07 1.24E+08 6.18E+07 1.04E+08 3.79E+07 7.07E+07 4.75E+08 3.55E+08 4.91E+08 1.56E+08 8.77E+07 4.40E+08 4.47E+08 3.02E+08 1.37E+08 1.18E+08 7.42E+07 1.07E+08 9.76E+08 1.78E+09 9.02E+08 84326414.96 36216943.03 55648983.48 55407602.39 161475837.8 28624976.06 51250917.65 56489298.92 40221537.88 567774489.8 28431874.89 11070201.23 23746815.06 564665125.1 321821776.6 23157794.64 74166710.49 53255027.79 1445491737 131329451.1 2,5-di-tert-Butylhydroquinone 5.44E+06 1.32E+07 6.20E+06 1.44E+07 2.09E+07 2.01E+07 1.05E+07 2.94E+07 8.77E+06 1.01E+07 1.79E+07 4.91E+06 7.84E+06 2.04E+07 3.36E+07 4.06E+07 2.83E+07 2.08E+07 2.31E+07 2.73E+07 5.05E+07 4.14E+07 4.60E+07 5199018.918 6565354.496 5714624.766 8867246.388 18475779.84 7719890.477 13875033.44 24057241.67 11438633.71 10955498.08 2449153.545 4157023.7 4818834.326 90047539.71 47961013.76 15112006.79 28711712.55 12453967.68 28220623.85 40021110.05 2-aminocaprylate 7.97E+05 1.04E+06 8.32E+05 1.20E+06 2.41E+06 1.67E+06 3.96E+05 1.45E+06 2.21E+06 2.11E+06 2.98E+06 2.98E+05 7.50E+05 1.34E+06 2.43E+06 5.03E+06 1.98E+06 2.96E+05 8.30E+05 2.73E+05 5.45E+06 5.48E+06 5.15E+06 289997.5996 283551.1552 796379.6446 1497777.271 3194165.085 1739217.325 1125526.121 1160714.496 3875589.619 2961525.355 23499.79924 1412.617754 1545.795302 5334133.352 5085772.684 352774.4723 401811.6954 46982.95582 5562343.643 4323804.673 2-ethylhydracrylate 4.29E+07 2.68E+07 3.19E+07 1.92E+07 1.37E+07 1.59E+07 1.45E+07 1.64E+07 1.10E+07 1.21E+07 1.05E+07 2.92E+07 3.88E+07 5.05E+07 3.34E+07 7.81E+07 2.18E+07 1.67E+07 1.45E+07 1.83E+07 3.13E+07 4.81E+07 2.54E+07 13301826.62 11865193.01 13870606.11 12350065.2 18668426.36 12169189.66 15033470.23 17489078.98 14254126.76 14548949.7 6128639.069 8256038.398 7853948.961 94961045.24 36070431.99 10651029.31 20332603.14 11965690.88 49777716.13 49547058.23 2-furoic acid 1.97E+08 2.95E+08 1.72E+08 6.84E+07 2.49E+08 2.07E+08 1.66E+08 1.89E+08 3.44E+08 3.35E+08 3.16E+08 2.24E+08 2.28E+08 6.22E+07 4.24E+07 1.60E+08 1.45E+08 1.50E+08 8.33E+07 6.29E+07 2.66E+08 1.77E+08 4.30E+08 217138794.1 217212481.5 268338932.9 174951864.4 71753791.82 158128769.8 271138274.8 170178263.9 164125417.5 120651210.5 94066005.05 87037200.15 126581812 104348530.2 173505324.3 165028708.8 100250513 88709505.75 182455550.1 124975231 2-hydroxyglutarate 1.99E+08 1.17E+08 1.17E+08 6.15E+07 5.60E+07 1.32E+08 7.91E+07 9.06E+07 8.06E+07 5.82E+07 7.11E+07 2.50E+08 1.82E+08 1.06E+08 1.73E+08 1.66E+08 4.96E+07 8.92E+07 1.20E+08 1.95E+08 4.59E+08 9.26E+08 2.88E+08 113116460.5 122104443.6 111296957.9 69185817.26 50526806.84 55222075.59 80775511.21 77970553.55 51695688.33 52974430.28 101067295.5 73481300.86 84881629.88 80423146.16 96814576.27 148526586.8 138861032.4 156061585 561997801.4 419602258.4 2-hydroxyhippurate 2.27E+08 1.75E+08 1.31E+08 5.45E+07 1.74E+08 7.24E+07 1.63E+07 5.48E+07 7.22E+07 3.15E+07 6.14E+07 2.62E+06 7.90E+06 6.70E+06 4.72E+06 9.66E+06 1.98E+06 3.51E+06 2.80E+06 4.14E+06 5.20E+06 4.87E+06 5.41E+06 368811559.9 411559411.5 460242349.8 150115981.4 298157419.2 114617909.5 117149901.2 76814245.55 47323303.94 52621359.25 1590414.642 1229529.368 883124.3189 7678592.728 5005867.74 3723678.973 23357653 3879998.991 9798098.749 7537158.112 2-hydroxymyristate 1.19E+06 1.87E+06 1.46E+06 9.42E+05 3.16E+06 1.87E+06 1.47E+06 3.04E+06 4.43E+05 8.98E+05 1.91E+06 2.34E+06 2.45E+06 4.74E+06 1.59E+06 3.33E+06 1.28E+06 1.37E+06 2.24E+06 3.67E+06 3.73E+06 4.93E+06 6.70E+06 5168539.004 3814390.046 3466988.9 1989607.279 10862459.59 2011368.038 5215135.381 5209422.159 3197935.634 2431178.382 414084.8777 1412056.105 1633540.334 5234790.035 4922407.239 3627390.458 4504695.28 1982645.186 10106005.34 4694470.14 2-methyl-3-hydroxybutyrate 2.21E+07 2.97E+07 2.27E+07 1.29E+07 1.60E+07 1.37E+07 8.18E+06 1.39E+07 1.02E+07 9.12E+06 1.28E+07 2.74E+07 3.25E+07 6.22E+07 2.54E+07 5.87E+07 1.92E+07 7.06E+06 1.31E+07 1.43E+07 3.85E+07 5.29E+07 4.95E+07 10303629.19 11399068.27 13125539.43 17536294.81 29309053.71 13140134.32 9586330.793 12143889.21 16249786.13 11431926.49 6743238.993 11185324.21 9752037.883 70688458.15 58285642.64 13500942.8 19871084.11 8642318.994 59859210.21 54156453.99 2-octenedioate 9.81E+06 1.53E+07 1.02E+07 7.40E+06 1.64E+07 1.84E+07 9.66E+06 2.48E+07 1.03E+07 9.15E+06 1.33E+07 1.00E+07 1.63E+07 2.20E+07 2.77E+07 3.62E+07 1.44E+07 1.47E+07 1.39E+07 1.50E+07 2.51E+07 4.43E+07 3.55E+07 8569503.537 12306322.84 10705577.28 8148301.402 14599473.65 11829944.65 9045948.021 14248125.9 16099119.02 11325611.72 4635505.79 7672652.481 8754506.147 52363496.13 32924212.76 8333295.968 21412724.34 7680576.964 36948831.39 31790514.57 2-tert-butyl-4-ethylphenol 3.37E+07 6.68E+07 1.16E+07 3.02E+06 1.81E+07 9.10E+06 9.47E+06 1.81E+07 2.45E+08 1.96E+08 1.81E+08 1.42E+07 1.15E+07 7.52E+06 8.25E+06 6.05E+06 7.75E+05 1.01E+07 5.45E+06 1.84E+07 9.35E+08 1.16E+08 2.98E+08 9322973.052 14148053.52 16461509.79 4614718.064 11380490.66 11222660.23 21750895.83 18126453.64 316468346 179472608.3 12694050.23 10693410.92 15323297.62 3232054.083 2972644.142 4732210.518 49264009.9 20080869.48 25337169.58 53883826.16 3,4-dihydroxybenzenesulfonate 6.24E+08 2.80E+08 3.49E+08 6.35E+07 7.98E+07 4.65E+07 2.32E+07 4.03E+07 6.40E+07 5.17E+07 4.83E+07 2.66E+08 7.63E+08 1.16E+09 3.50E+07 1.27E+08 1.46E+07 3.03E+07 2.44E+07 2.78E+07 1.01E+08 9.76E+07 1.04E+08 242980014.6 260556602.3 303103556 68000975.43 43252326.16 48047995.59 55634347.71 63127621.62 44806113.28 47570937.8 24239940.44 48029596.04 26881878.71 218304818.3 65329625.47 13585196.68 54020314.59 19462026.97 105417906.3 116242360.9 3,5-di-tert-Butyl-4-hydroxybenzaldehyde 1.81E+07 3.11E+07 2.40E+07 1.15E+07 2.89E+07 4.79E+07 1.77E+07 5.23E+07 1.49E+07 1.52E+07 1.83E+07 1.81E+07 2.96E+07 4.83E+07 3.86E+07 5.11E+07 2.03E+07 2.30E+07 2.67E+07 4.95E+07 4.84E+07 3.45E+07 5.85E+07 19519088.75 24719031.72 24413159.38 11509810.57 26117901.11 24623314.29 17345932.24 27930625.67 27844363.89 14944871.77 10364730.85 13486663.64 19315656.66 67226539.3 41378661.3 15986101.06 37767945.47 20528057.44 55958569.73 50435714.52 3-hydroxydecanedioate 1.05E+07 1.12E+07 7.91E+06 1.64E+06 3.91E+06 1.31E+06 2.66E+06 8.51E+06 1.66E+06 1.23E+06 2.36E+06 5.35E+05 9.63E+05 1.78E+06 7.12E+05 8.39E+05 5.64E+05 5.91E+05 5.76E+05 1.19E+06 1.30E+06 9.08E+05 1.12E+06 9118633.178 12983800.94 18699508.09 6813661.901 11380974.4 1535136.694 10867063.47 10910235.53 2229904.48 2041287.216 116587.4407 262583.4103 240551.031 1695867.05 1198573.107 228262.7406 2485165.252 500790.4892 972221.9174 1569161.232 3-hydroxydecanoate 2.43E+06 3.74E+06 3.07E+06 1.65E+06 6.06E+06 2.97E+06 2.86E+06 5.99E+06 2.15E+06 3.86E+06 8.06E+06 3.49E+06 4.68E+06 9.65E+06 2.55E+06 7.75E+06 1.95E+06 2.43E+06 3.02E+06 4.19E+06 1.05E+07 1.65E+07 1.95E+07 9640403.437 8869197.858 7478408.848 3845998.097 32870722.38 3398450.888 6882127.812 6336052.425 15914862.52 11653493.04 850957.4718 2501065.456 3174039.862 10882624.07 9794346.134 6920907.442 7073943.243 3335504.085 21084442.65 14107607.5 3-hydroxydodecanoate 1.84E+06 2.96E+06 2.18E+06 1.39E+06 3.35E+06 2.18E+06 1.96E+06 3.53E+06 1.43E+06 2.26E+06 4.07E+06 2.29E+06 2.07E+06 5.37E+06 1.75E+06 4.46E+06 1.36E+06 1.46E+06 2.41E+06 3.71E+06 8.80E+06 1.03E+07 1.46E+07 10255797.94 8658863.223 6929297.811 3024981.967 19699552.81 2520620.092 6306366.208 5716654.687 7224221.879 5382587.024 611400.2463 1550661.383 2451007.396 5994284.092 5915839.125 5786375.425 4622098.663 2496302.586 16299282.05 9093073.433 3-hydroxydodecanoylcarnitine 9.98E+06 8.06E+06 2.60E+07 7.20E+06 1.92E+07 1.14E+07 2.08E+07 1.60E+07 3.46E+06 1.11E+07 1.26E+07 3.17E+06 1.78E+06 2.14E+06 3.95E+06 1.39E+06 5.00E+06 1.42E+06 4.66E+06 5.91E+06 1.91E+06 2.64E+06 2.85E+06 20654429.33 27750150.33 16811067.08 13010756.66 15900537.3 6241748.6 15495757.99 31072302.04 12147523.18 9172979.896 5617109.708 6940351.1 10683711.43 588562.9344 4326744.814 11795230.49 5156280.266 7560927.489 3260298.918 3030247 3-hydroxyhexadecanoylcarnitine 2.31E+07 1.53E+07 6.07E+07 1.10E+07 3.71E+07 2.03E+07 3.42E+07 2.95E+07 4.59E+06 2.33E+07 2.36E+07 9.18E+06 2.25E+06 2.18E+06 1.06E+05 2.11E+06 4.21E+06 2.02E+05 8.77E+06 2.31E+06 1.90E+06 7.94E+06 3.49E+06 151582347.3 189079785.3 135072212.2 73499662.18 85622635.44 67355328.02 85787529.48 182780093.2 41521730.58 25944738.05 45207786.01 50154739.71 75205801.99 356028.8013 18121909.43 78412090.82 25448347.06 7501873.772 23204053.66 15206224.47 3-hydroxyhippurate 2.75E+08 2.00E+08 1.56E+08 4.81E+07 3.75E+07 2.34E+07 6.17E+06 3.51E+07 2.56E+08 1.25E+08 2.21E+08 2.59E+06 7.72E+06 1.01E+07 3.05E+06 8.93E+06 1.39E+06 9.49E+05 5.62E+05 5.19E+06 2.16E+07 2.21E+07 1.92E+07 373798548 393890881.4 449574980.6 100514735.1 200200961.2 16700599.59 57234272.74 43110607.27 147863482.4 202842552.9 1440976.344 733492.7508 252296.9298 9339901.869 3532268.267 445388.3867 52131931.65 7675607.781 32725300.38 29341428.45 3-hydroxykynurenine 1.35E+06 6.37E+05 1.33E+06 8.45E+05 7.93E+05 5.05E+05 1.48E+03 3.87E+05 6.72E+05 1.55E+03 1.05E+05 7.74E+06 1.09E+07 3.85E+06 1.32E+06 2.15E+06 6.73E+06 7.94E+04 1.64E+06 1.63E+03 2.96E+06 2.69E+06 4.24E+06 505859.8237 530160.9601 713820.8756 988.7667309 52247.6198 287336.9947 307782.1401 652329.0321 249727.4247 220755.1837 3450955.863 9903991.457 7088628.951 635626.3361 931456.0993 169012.2622 1940.948452 988.4230609 2187414 14821853.11 3-hydroxy-N6,N6,N6-trimethyllysine 1.01E+08 7.57E+07 6.86E+07 4.61E+07 8.62E+07 4.73E+07 3.89E+07 6.73E+07 5.97E+07 3.70E+07 5.22E+07 2.93E+07 3.07E+07 2.73E+07 2.36E+07 3.86E+07 2.62E+07 2.57E+07 2.30E+07 1.93E+07 2.48E+07 2.54E+07 2.96E+07 74980274.61 79306625.92 79675853.79 43219640.7 99751132.76 27911750.94 54270857.37 44789860.34 43172958.13 42203356.22 15002043.98 13467391.29 12062721.75 21266414.22 35857664.33 16536921.37 28612262.74 15156052.57 24899548.95 25805353.97 4-acetamidophenylglucuronide 6.59E+07 2.89E+07 4.47E+07 1.36E+09 8.68E+08 3.59E+08 1.42E+04 1.22E+05 5.71E+08 3.92E+08 5.35E+08 9.95E+06 1.55E+07 1.57E+07 8.13E+08 1.95E+09 3.70E+08 1.48E+08 1.14E+08 1.13E+04 2.41E+08 1.50E+08 1.94E+08 44192782.29 53219925.29 59418277.48 1941179675 4362808260 476321080.5 429436.0755 458314.4891 431789982 396928447.6 1164106.057 1197427.759 864762.6615 2375333657 998590850.3 102090365.6 167333.7112 68474.0389 97549896.11 118863979.4 4-aminohippurate 1.42E+07 1.41E+07 1.26E+07 5.07E+06 1.31E+07 7.02E+06 1.96E+06 3.93E+06 5.54E+06 3.65E+06 4.51E+06 3.34E+05 1.85E+06 2.60E+06 2.37E+03 2.39E+06 6.32E+05 1.32E+06 6.99E+05 6.93E+05 2.93E+06 1.98E+06 2.82E+06 20172164.74 25711568.78 27344340.15 13456300.37 16093755.38 12346210.74 6243833.549 5435880.71 4748753.356 4918158.487 130982.9476 418842.0488 396432.4624 2636561.244 588041.6816 664455.5346 4185410.535 762464.0118 5030318.205 4388833.785 4-dodecylbenzenesulfonate 8.45E+07 6.84E+07 6.48E+07 7.99E+07 2.43E+07 4.18E+07 1.13E+07 4.17E+07 1.15E+07 2.37E+07 5.42E+07 3.63E+07 7.52E+07 3.80E+08 1.20E+08 2.33E+08 8.33E+07 1.43E+08 7.49E+07 3.28E+07 6.04E+07 4.77E+07 7.24E+07 29575728.84 21435783.06 26728064.63 31743985.09 83158585.73 9062109.613 14482578.32 24950201.4 33355922.86 16177230.69 7018378.238 8548223.517 17596465.6 1263404380 132733389.8 13024809.51 55280488.82 18798112.47 72192603.33 56631395.18 4-ethoxyethylbenzoate 2.85E+07 5.70E+07 3.93E+07 2.12E+06 8.92E+07 1.24E+08 3.92E+07 1.52E+08 2.76E+06 2.32E+06 5.98E+06 2.71E+07 3.51E+07 1.56E+08 4.61E+07 1.52E+08 4.62E+07 2.67E+06 8.49E+07 5.81E+07 1.26E+07 1.31E+07 9.92E+06 29300031.53 29271320.38 29567212.07 31650604.06 93687540.81 45050346.63 54167180.71 66969998.12 4548106.534 4535186.149 15690824.6 15466678.75 22900820.79 28441112.71 186303095.9 30583752.47 106684495.6 10994586.96 13095468.46 7413000.851 4-guanidinobutanoate 9.90E+06 8.19E+06 5.02E+06 4.26E+07 4.78E+07 5.59E+07 2.78E+07 1.97E+07 2.36E+08 3.39E+08 2.00E+08 1.86E+07 2.81E+07 3.61E+07 3.91E+07 2.24E+07 1.62E+07 8.65E+07 4.88E+07 4.29E+07 2.72E+07 3.06E+07 2.17E+07 13901096.2 11094243.88 11557388.27 65319958.03 37245162.31 115021526.8 39742188.78 29399147.48 181383763.6 195787811.4 38138020.1 59745688.17 68643113.22 34013045.22 9103469.13 214420726.8 53105803.94 113985303.7 34269963.69 40820234.22 4-hydroxy-3-methoxyphenylglycol sulfate 1.09E+07 5.53E+06 8.28E+06 5.25E+06 7.83E+06 3.60E+06 1.16E+06 4.24E+06 9.28E+06 5.64E+06 7.30E+06 1.17E+06 2.94E+06 3.72E+06 9.64E+05 1.03E+06 6.90E+05 6.13E+05 4.69E+05 4.66E+05 3.60E+06 3.16E+06 3.34E+06 5206188.926 6206851.961 8238561.666 9441356.122 11795330.38 2923613.67 5378266.033 5707293.03 4666794.788 5198985.437 49272.66562 1412.617754 1545.795302 1407978.573 1116883.388 195793.1665 1530616.701 238114.8129 3938161.756 2852899.243 4-hydroxyphenyllactate 9.33E+07 5.86E+07 5.90E+07 6.11E+07 3.39E+07 3.95E+07 2.54E+07 3.12E+07 1.50E+08 9.25E+07 1.36E+08 1.01E+08 1.20E+08 1.30E+08 5.96E+07 1.74E+08 6.85E+07 3.11E+07 3.35E+07 3.95E+07 1.11E+08 1.44E+08 9.95E+07 66174878.76 58931618.82 71966647.67 106055156.3 113712682.4 33527797.65 54247717.37 52923655.68 98168269.16 121358877.4 13202167.67 17794563.73 13033479.05 161017707.3 93680215.04 32770362.17 52056112.78 20527148.89 257294303.5 307894427.2 4-hydroxyphenylpyruvate 4.47E+06 3.90E+06 4.59E+06 2.77E+06 1.99E+06 7.87E+06 1.38E+06 1.31E+06 2.73E+06 1.55E+03 2.02E+06 2.17E+07 1.04E+07 1.39E+07 2.75E+06 1.73E+07 2.89E+06 3.80E+06 5.38E+06 5.67E+06 9.93E+06 1.09E+07 1.03E+07 1380188.365 2841.636854 2479.492885 1049494.544 1053560.719 1880.297323 1014520.109 939407.1616 1577856.591 1433.168049 66056.26884 522352.6463 650182.2261 25804137.77 10201647.62 1025081.774 4833392.599 1160588.9 26088456.8 53356254.54 4-hydroxyproline 4.72E+07 4.20E+07 3.95E+07 2.15E+07 2.87E+07 7.65E+07 2.66E+07 2.29E+07 1.57E+07 2.31E+07 1.32E+07 1.62E+07 7.79E+07 5.71E+08 5.11E+07 3.54E+08 1.07E+07 6.09E+07 4.42E+07 4.51E+07 6.45E+07 5.14E+07 9.51E+07 17536162.52 15077712.93 15793352.88 47376249.57 28532596.95 51481649.58 9706379.805 17184155.38 20705331.4 15084101.64 6159560.963 7534538.547 7766343.111 415844069.3 60042823.34 68805652.67 38927511.09 12737352.65 166554473.1 119557321.7 4-imidazoleacetate 4.78E+06 4.97E+06 3.78E+06 1.37E+07 1.72E+07 1.43E+07 7.65E+06 1.91E+07 7.94E+06 5.60E+06 9.38E+06 4.51E+06 8.18E+06 1.63E+07 8.08E+06 1.10E+07 2.45E+07 1.39E+07 6.99E+06 1.21E+07 1.53E+07 5.57E+06 1.73E+07 6209398.189 4890655.173 5588362.762 6152846.917 11728891.69 5381379.425 25261190.33 17241011.62 12111945.82 9332809.284 4149711.427 3105595.785 3611907.352 14996669.88 6259486.303 5161861.918 17052891.08 11411146.5 6573705.281 5568136.828 4-phenolsulfonate 1.27E+08 7.65E+07 8.37E+07 4.24E+07 1.60E+08 8.81E+07 1.63E+08 2.28E+08 3.77E+07 2.73E+07 2.62E+07 5.61E+07 1.83E+08 2.32E+08 3.16E+07 9.31E+07 3.43E+07 8.51E+07 5.51E+07 1.35E+08 5.71E+07 5.32E+07 7.30E+07 54380389.75 58685579.51 69873043.26 48224281.78 30427655.84 92897721.25 274107295 350998647.2 23224629.92 21754723.53 8237048.41 16541114.67 8996020.694 71350838.28 47678236.11 33503775.51 204655827.5 83962891.99 69241087.75 57251251.4 4-pyridoxate 5.82E+07 4.10E+07 4.19E+07 1.30E+07 5.07E+07 1.43E+07 4.74E+06 1.10E+07 1.73E+07 1.07E+07 1.39E+07 5.13E+06 1.71E+07 1.62E+07 2.65E+06 6.63E+06 2.05E+06 3.56E+06 2.79E+06 1.96E+06 5.49E+06 4.16E+06 6.29E+06 60516701.91 67964069.97 82164276.02 28932220.13 31732035.33 28821622.67 24180945.11 18683678.44 10895167.04 11429057.3 1298021.244 2315208.772 1708496.669 7460089.089 3822047.008 2378031.083 7135744.571 1806724.648 6430271.427 5840181.677 5,5-dimethylhydantoin 1.05E+07 8.44E+06 8.69E+06 8.51E+06 9.10E+06 1.03E+07 9.10E+06 7.27E+06 7.69E+06 7.50E+06 6.48E+06 1.81E+07 2.32E+07 2.30E+07 2.76E+07 4.10E+07 4.20E+07 1.21E+07 9.81E+06 9.65E+06 1.50E+07 1.46E+07 1.26E+07 3649688.761 4102700.421 3908282.5 11759445.2 12690312.97 9389524.743 5234798.077 5542480.104 6653627.837 4985469.496 9348990.322 10985023.86 8344649.811 37489735.89 41468587.21 9129336.859 11131613.63 9051033.346 22479137.37 19482295.52 5,6-dimethylbenzimidazole 3.90E+07 3.37E+07 5.53E+07 9.01E+06 5.87E+07 5.84E+07 3.47E+07 6.08E+07 4.31E+07 3.01E+07 3.48E+07 2.58E+07 8.15E+07 8.42E+07 5.33E+07 9.92E+07 1.89E+07 4.41E+07 3.65E+07 4.63E+07 7.19E+07 5.18E+07 1.21E+08 39894074.78 71822583.76 70612510.35 25682552.26 42114525.44 72553503.35 26219351.8 30234612.49 64401370.34 32183988.2 23039204.34 39700467.55 57438317 89185011.6 76390441.52 28355098.58 49214227.07 23432500.36 117494498.3 119168017.7 5-aminolevulinate 3.10E+06 2.49E+06 3.60E+06 2.37E+06 3.70E+06 6.25E+06 1.56E+06 3.19E+06 1.89E+06 2.17E+06 1.71E+06 1.50E+06 2.45E+06 1.51E+07 4.03E+06 4.84E+06 3.47E+06 4.10E+06 2.88E+06 3.58E+06 3.93E+06 4.59E+06 4.48E+06 2062991.605 2044670.11 1903890.195 1965006.585 2386339.557 5016367.663 1387860.082 1116066.516 2034142.482 2450889.231 845497.9179 1443226.109 1164149.259 30313067.97 6363147.301 3843169.086 1977569.541 1184702.235 3926438.257 3402532.529 5-dodecenoate 2.05E+07 4.55E+07 2.27E+07 5.86E+06 1.64E+07 5.31E+07 1.54E+07 4.57E+07 4.24E+07 2.88E+07 1.11E+08 2.11E+07 2.74E+07 8.23E+07 1.11E+07 2.86E+07 8.19E+06 1.12E+07 2.47E+07 1.55E+07 2.03E+08 1.30E+08 9.77E+07 19484068.41 28416086.93 25247251.06 6629791.338 14962295.61 15471376.86 14829569.61 19994197.51 64826347.24 51797147.08 8792572.274 13009065.49 16418938.33 32872105.27 29210182.24 13448915.3 29734377.4 6074969.905 188434435.1 76315527.4 5-hydroxylysine 2.18E+06 2.87E+06 9.45E+05 1.64E+06 5.83E+06 3.08E+06 2.08E+06 4.05E+06 3.48E+06 2.29E+06 3.81E+06 1.68E+06 3.79E+06 1.67E+07 2.16E+06 7.91E+06 2.32E+06 1.53E+06 1.58E+06 4.39E+06 4.65E+06 3.41E+06 3.02E+06 5833654.308 2918440.766 2885583.659 1175118.011 4250104.531 1659564.008 6242813.327 1814788.088 1949281.622 3709398.985 1362111.282 1047540.393 810771.9805 3639762.427 2549181.032 3348854.31 4469412.725 1927791.267 4805701.57 5296525.094 6-phosphogluconate 1.88E+07 1.23E+07 7.79E+06 1.21E+06 2.45E+07 2.62E+06 6.34E+05 3.79E+06 1.07E+07 6.24E+06 1.03E+07 2.24E+07 2.45E+06 3.79E+03 7.67E+06 1.96E+05 2.93E+08 1.95E+06 1.08E+07 4.39E+05 1.56E+07 2.76E+07 9.19E+06 22040746.81 30914720.69 24789699.32 3073576.39 6792787.159 929448.0247 6368446.948 4874577.462 14585525.03 10154885.34 268375023.1 222954377 296402306.8 150551.9762 480862163.2 97774189.12 3034647.34 11634162.8 1226868.381 3405293.611 7alpha-hydroxy-3-oxo-4-cholestenoate 1.42E+06 2.89E+06 2.38E+03 2.60E+06 2.11E+06 1.88E+06 6.65E+05 8.77E+05 4.59E+05 2.56E+05 2.23E+06 5.75E+07 2.12E+07 3.99E+07 8.76E+06 7.74E+07 1.47E+07 6.18E+06 1.96E+07 4.14E+06 5.28E+06 5.84E+06 4.82E+03 1089172.109 2841.636854 2479.492885 1788953.107 6205092.521 1270573.717 1322455.175 286274.353 4283345.17 385389.4579 2296711.093 7893014.798 1726265.576 145943494.6 148979124.5 4048420.193 36156879.54 4737307.958 67798480.49 80013574.2 7-methylguanine 7.63E+07 4.41E+07 5.18E+07 7.54E+07 9.32E+07 4.87E+07 3.84E+07 7.62E+07 6.14E+07 5.44E+07 5.59E+07 1.93E+07 4.21E+07 5.31E+07 2.43E+07 6.41E+07 1.94E+07 1.87E+07 2.44E+07 2.82E+07 5.20E+07 6.55E+07 4.60E+07 61944592.09 59418671.64 62809827.26 125865494 172837780.9 56938292.78 109806632.4 115919336.2 58745099.75 64207051.62 15916837.82 14347173.7 15026332.23 54895215.32 39722622.64 19534711.16 40783878.83 24789921.44 71288659.74 65704566.76 acesulfame 1.53E+07 1.38E+07 1.42E+07 1.40E+08 1.56E+03 2.30E+03 5.71E+07 2.63E+08 1.60E+03 1.55E+03 1.46E+03 1.75E+06 3.71E+06 1.13E+07 2.86E+07 1.13E+08 2.17E+07 1.55E+03 1.32E+03 2.89E+07 3.50E+03 3.10E+03 4.82E+03 8480183.216 11226477.32 16259380.05 361491529.8 490186916.3 1880.297323 329398747.8 342398452.4 2359.459188 1433.168049 50536.09598 199769.4636 112751.7717 115560448.6 91962759.81 1207.562202 89397219.7 17986446.53 5498.547487 5370.189143 acetylarginine 3.57E+08 3.76E+08 2.05E+08 5.38E+07 3.52E+08 2.69E+08 2.95E+08 5.49E+08 1.74E+08 5.36E+07 1.70E+08 6.35E+08 6.50E+08 4.82E+08 1.95E+08 1.79E+08 4.74E+07 1.51E+09 1.05E+09 9.43E+08 2.23E+07 2.23E+07 2.03E+07 600839849.6 684924046.8 710343975.2 114451596.1 310560214.7 169986614.8 1073382542 222177756.5 112724393.6 158456489 7241123321 2157943058 3573700938 484531775.2 54615171.25 1224943359 777824494.1 2101131374 29584343.32 27387781.23 acetyl-beta-methylcholine 4.23E+08 3.49E+08 4.43E+08 8.90E+08 5.83E+08 4.73E+08 4.44E+08 3.58E+08 9.09E+08 7.78E+08 8.25E+08 5.03E+08 4.28E+08 2.40E+08 6.13E+08 3.52E+08 7.26E+08 4.61E+08 5.59E+08 2.31E+08 5.78E+08 5.98E+08 4.99E+08 414940641.8 354979399.2 342030554.2 867388904.3 551272615 640336908.1 475119845.1 317364686.7 632418581.8 803603920.3 644562417.9 708977400.2 672273260.3 273194077.2 424841124.9 438506347.6 183660162.4 238043576.8 377674235.1 384452806.2 acetylcholine 6.15E+06 1.68E+06 3.19E+06 2.98E+06 1.31E+06 4.23E+06 5.84E+06 4.98E+06 3.41E+06 5.56E+06 5.30E+06 7.02E+06 7.95E+06 6.21E+06 1.40E+07 8.12E+07 7.71E+05 7.19E+05 6.79E+06 9.59E+06 4.37E+08 1.36E+08 2.60E+08 12716688.77 6796329.223 6185657.804 7667835.261 549470.4602 3221531.807 4019275.782 6532886.01 5791821.997 9730341.639 2406146.357 3424456.302 5821408.096 809656.6832 23214345.99 2408885.049 2238922.585 3721807.524 62862204.05 38485590.9 acetyl-CoA 2.36E+06 5.49E+06 8.52E+05 7.69E+02 3.49E+06 1.99E+06 4.88E+06 8.58E+06 9.90E+06 3.99E+06 9.20E+06 1.68E+06 1.07E+06 1.27E+05 1.44E+05 2.03E+05 1.60E+05 4.85E+04 1.03E+06 1.63E+03 8.03E+05 3.83E+05 1.21E+06 6903364.396 12079246.98 6477273.716 460076.1187 4877497.855 940855.1587 3486552.866 2154136.841 7205809.526 4297388.298 2531597.335 6742518.057 6138974.547 523973.4613 488177.4906 1459989.619 732140.4885 791014.4193 5498.547487 289304.8675 acetylserine 2.37E+08 1.19E+08 1.83E+08 9.13E+07 6.57E+07 1.68E+08 6.06E+07 1.04E+08 5.00E+07 4.62E+07 4.00E+07 1.90E+08 1.83E+08 3.30E+08 1.04E+08 1.44E+08 8.93E+07 1.58E+08 1.47E+08 1.70E+08 1.41E+08 1.59E+08 1.25E+08 87569853.71 66589922.9 62932475.84 44018878.33 33021922.55 72274144.31 59983133.22 54048358.95 38758508.51 35002011.23 126738209.2 106915723 105958390.7 219193043.9 102803225.1 132923223.5 137389133 129517556.7 134014977.3 131324653.2 adenine 7.34E+07 8.62E+07 4.41E+07 4.95E+07 1.27E+08 2.26E+08 1.33E+08 2.67E+08 4.77E+07 6.34E+07 6.86E+07 5.36E+07 1.41E+08 1.62E+08 1.80E+08 5.33E+07 6.85E+07 2.24E+08 3.77E+08 4.89E+08 6.69E+07 4.25E+07 7.41E+07 111247391.9 116800013.2 101714513.9 71308763.94 70202063.26 148710600.6 195518598.5 123465571.8 125819605.8 140274062.7 201064815.4 221573403.6 208594674.6 40764016.75 134545467.6 248509667.3 327475972.4 489625827.9 19231875.09 23998996.89 adenylosuccinate 8.70E+05 1.06E+06 1.83E+05 8.37E+05 4.39E+06 1.50E+06 8.57E+05 6.96E+05 1.68E+06 5.85E+06 1.69E+07 2.30E+06 6.92E+05 7.88E+05 2.71E+05 7.26E+05 3.53E+06 6.26E+06 2.52E+06 2.81E+05 7.61E+05 6.77E+05 3.87E+05 22698259.76 23549493.52 19494028.81 2891020.356 9078941.75 723366.3823 22264054.53 10660493.07 16899928.77 31873938.2 3732275.768 1924866.3 3010032.986 35140.06666 224075.3582 3224270.768 661101.6925 1319212.982 933347.9776 619526.6991 adipoylcarnitine 1.01E+08 1.85E+08 6.22E+07 2.10E+07 1.90E+08 3.02E+07 7.52E+07 2.60E+08 3.33E+08 1.10E+08 3.61E+08 1.74E+07 3.72E+07 4.01E+07 7.56E+06 1.96E+07 1.27E+07 2.88E+06 3.54E+06 8.10E+06 2.02E+07 1.89E+07 1.86E+07 235387420 252164287.7 258960165.8 44617237.93 205671628.4 36924701.37 372157869.1 96400786.81 226321837.4 289729250.2 4903986.412 5363454.585 3570157.99 19275948.01 8248072.643 4230536.097 20030884.51 3948367.308 30502003.54 27588447.9 ADP 2.78E+08 2.99E+08 1.20E+08 9.93E+07 3.50E+08 2.13E+08 2.62E+08 2.33E+08 3.41E+08 2.36E+08 3.18E+08 3.21E+08 1.43E+08 2.14E+07 4.74E+07 2.02E+07 8.61E+07 6.12E+07 1.13E+08 3.23E+07 1.51E+08 1.26E+08 1.33E+08 233480674.2 231342383.2 188903117.9 156384926.3 126580011.8 77705098.44 164422610.9 192837247.6 261748360 203025587.1 118731062.4 202507723.8 165130410 2193139.851 81239697.85 97538645.21 104123024.9 88614843.5 71124751.41 66456814.32 allantoin 1.82E+06 2.44E+06 1.14E+06 6.40E+05 4.28E+06 1.37E+06 9.18E+05 2.57E+06 1.24E+06 8.32E+05 1.47E+06 7.44E+05 3.24E+06 3.48E+06 1.51E+06 3.91E+06 8.62E+05 1.17E+06 3.74E+05 7.90E+05 1.40E+06 1.39E+06 1.60E+06 1599188.49 1572304.047 1108896.546 1057949.913 2596595.163 1089394.18 3085252.938 1884899.978 3016890.89 1321624.231 110657.119 141733.1878 35509.78818 5364711.706 1221040.785 299983.4489 732942.9621 333213.96 10078587.75 2895017.21 aminoadipate 2.84E+07 3.74E+07 2.71E+07 1.28E+07 2.77E+07 5.73E+07 3.37E+07 2.86E+07 3.02E+07 3.68E+07 2.87E+07 3.55E+07 4.17E+07 3.72E+07 8.57E+07 4.24E+07 2.57E+07 1.15E+08 8.81E+07 5.85E+07 5.54E+07 3.54E+07 6.00E+07 21051728.25 24971312.68 26846375.58 23349921.84 17662166.74 25893127.75 13607654.58 30032949.9 34261963.67 29713909.1 60737697.76 34959946.64 74297751.56 19036813.04 27122853.68 84285662.27 138261207 72570186.28 37137570.74 35580721.78 Amoxicillin 1.29E+09 1.30E+09 1.46E+09 7.65E+08 1.56E+03 2.30E+03 7.84E+08 1.46E+09 1.10E+09 7.80E+08 9.08E+08 1.93E+08 8.28E+08 4.83E+08 2.25E+08 3.99E+08 8.60E+07 1.55E+03 1.32E+03 2.32E+08 5.93E+08 3.76E+08 2.94E+08 1938378858 2839080070 3241190275 1330905956 3063282021 1880.297323 1802520309 1999793797 969262343.7 825609726.4 36439516.93 85669517.36 44316835.63 86591212.1 232890206.8 1207.562202 396190782.8 119746615.3 350508401.7 402792929.9 androsterone glucuronide 3.05E+06 2.30E+06 2.36E+06 1.11E+06 2.60E+07 1.75E+06 4.68E+05 1.35E+06 2.11E+06 1.01E+06 1.38E+06 3.05E+05 2.21E+06 2.89E+06 3.05E+05 1.59E+06 1.41E+04 2.39E+06 9.78E+05 1.98E+05 2.44E+06 2.37E+06 3.95E+06 4533797.94 7901582.669 7336119.213 3218987.674 7063858.699 6009859.725 2382903.173 1501232.199 2214578.297 1186762.993 23243.08667 245844.2505 72490.36133 1036989.399 294219.0104 981677.1498 294854.2578 11304.70855 2550283.61 3159684.595 anserine 9.59E+06 9.06E+06 8.30E+06 1.42E+07 3.35E+07 2.34E+07 2.52E+07 5.08E+07 5.21E+08 2.92E+08 4.56E+08 1.41E+06 3.00E+06 3.81E+06 4.99E+06 3.09E+06 6.33E+06 2.19E+06 2.98E+06 2.79E+06 2.00E+07 9.05E+06 3.19E+07 13849349.84 13004486.24 11202140.84 24301504.6 25977552.39 24075397.99 40794756.33 29994761.01 324965855.7 337392691.1 85895.19716 550236.8425 713176.3991 3549461.859 3181733.877 2932275.773 3344102.158 995756.4832 13999149.13 13829140.51 arachidate 2.31E+07 5.51E+07 1.91E+07 6.75E+06 8.96E+06 1.49E+07 9.21E+06 1.45E+07 1.69E+06 1.64E+06 2.61E+06 9.07E+07 2.65E+07 3.18E+07 4.77E+06 4.03E+07 2.58E+07 6.86E+06 5.72E+06 1.43E+07 8.05E+06 9.95E+06 1.48E+07 13966365.64 14605136.23 12494987.65 8717614.173 22703875.54 10424567.29 6005276.241 4430336.476 4198682.968 2000566.668 7874393.048 9195102.909 12046918.72 22334717.44 18331828.89 5497441.43 12114744.78 5835934.071 28594099.78 21507450.29 arachidonate 5.50E+08 7.63E+08 5.78E+08 3.88E+08 1.87E+09 7.15E+08 3.83E+08 1.36E+09 3.21E+08 3.24E+08 3.87E+08 3.40E+08 2.76E+08 2.68E+08 1.65E+08 1.31E+08 5.21E+08 1.50E+09 6.84E+08 6.73E+08 2.74E+08 4.69E+08 1.26E+09 437133122.1 412521710.7 391540233.6 332089446.3 890410934.4 536090576.1 1132076866 921854398.7 452032653.3 396711213.6 77308090.68 71952674.11 120867655.1 677775448.9 405133034 190210074.5 449743809.6 534735987.9 492950821.4 324017596.7 arachidonoylcarnitine 2.43E+07 8.28E+06 2.04E+07 1.78E+07 3.55E+07 2.28E+07 1.50E+07 2.42E+07 8.53E+06 5.38E+07 5.36E+07 5.44E+06 9.60E+06 7.08E+06 3.03E+06 5.28E+06 1.25E+08 2.71E+07 1.36E+07 1.06E+07 3.72E+07 4.70E+07 3.25E+07 76838166.05 59645575.16 57248432.58 65113559.39 116711268.5 198970538.6 53617392.13 105851914.5 130525760.2 108606633.5 18887361.85 18685570.53 22135426.77 33755112.23 53832552.89 26490630.63 13657887.19 16132076.74 33148539.93 24026695.88 argininosuccinate 3.81E+06 4.22E+06 2.59E+06 3.39E+06 7.40E+06 7.91E+06 6.36E+06 5.57E+06 6.19E+06 5.87E+06 1.22E+07 7.11E+06 1.01E+07 1.73E+06 1.64E+07 5.02E+06 7.22E+06 3.19E+07 2.13E+07 1.55E+07 3.95E+06 5.91E+06 2.63E+06 21350884.57 16740423.88 12681706.14 4971841.969 9473480.759 3440206.849 16443420.29 7187655.562 11743764.07 14300131.78 21482044.22 4101646.89 6979761.517 439294.9365 4884999.451 24095111.37 30146601.11 33303500.85 968298.9612 2918799.615 asparagine 6.74E+07 4.59E+07 5.03E+07 2.89E+07 3.87E+07 5.18E+07 3.49E+07 3.31E+07 3.85E+07 2.91E+07 4.83E+07 8.18E+07 1.07E+08 1.32E+08 5.36E+07 1.23E+08 2.76E+07 5.97E+07 4.86E+07 4.42E+07 9.26E+07 1.23E+08 8.42E+07 90517024.31 77540069.16 75163954.1 28639376.01 40044820.38 55703694.36 40312324.77 30201069.67 54707731.28 54479010.69 41817413.15 38185633.76 32443049.32 93474581.13 68015311.82 61467015.04 64121432.89 29823608.92 212954097 194046537.6 asparaginyl-lysine 2.41E+07 8.45E+06 9.35E+06 4.88E+06 6.88E+06 1.42E+07 5.82E+06 7.86E+06 9.30E+06 6.19E+06 8.07E+06 8.69E+06 5.63E+06 5.25E+07 8.40E+06 1.35E+07 1.77E+06 6.59E+06 6.37E+06 1.62E+07 7.03E+06 1.62E+07 5.14E+06 4138037.558 3651076.265 3867430.975 4670654.612 4174728.91 5503331.7 3354598.982 4726250.919 7476084.429 8022638.618 853757.2412 742687.7875 562227.0494 31053542.48 6654447.279 1516345.031 7194479.546 3966932.6 8238437.155 10615296.98 benzaldehyde 2.76E+06 3.49E+07 1.91E+07 1.90E+07 4.66E+07 2.01E+07 1.36E+06 7.56E+07 2.08E+06 1.03E+06 1.31E+07 4.73E+05 3.29E+06 5.05E+07 4.07E+07 3.86E+07 3.44E+07 1.13E+07 6.51E+06 2.80E+07 4.37E+07 5.81E+07 2.42E+07 790454.3143 2841.636854 1904978.921 14461519.55 76931811.04 4733353.993 15408292.39 20017596.63 4629119.663 4596327.269 206357.4082 90153.71977 475415.5705 92422957.45 150787504.4 14032389.04 83463691.77 7225865.999 684610.8467 8197315.92 beta-alanine 2.12E+08 1.02E+08 2.01E+08 1.28E+08 8.12E+07 2.63E+08 1.98E+08 6.82E+07 1.99E+08 2.86E+08 1.91E+08 7.59E+08 5.23E+08 1.54E+08 3.35E+08 2.23E+08 3.35E+08 2.82E+08 3.24E+08 4.46E+08 3.38E+08 3.19E+08 3.83E+08 177779707.9 187007487.7 174043610.8 144379010.6 141585429.7 212270540.4 106374817.8 143696641.2 221862593.1 260932445.5 705514632.6 825457040.1 1023349204 108109382.1 409460931.7 583258644.5 605508247.5 773226535.4 226948819.9 337992714.6 beta-Asp-Gly 4.95E+07 3.06E+07 2.78E+07 3.46E+07 3.44E+07 3.00E+07 1.84E+07 1.79E+07 2.70E+07 1.54E+07 2.31E+07 2.18E+07 2.42E+07 4.04E+07 1.13E+07 2.33E+07 9.66E+06 1.02E+07 1.28E+07 1.58E+07 2.96E+07 3.42E+07 2.97E+07 26319264.71 24142714.91 25321955.25 26544652.4 24750498.02 19273013.47 21500796.95 16692385.28 22051211.24 24244501.53 2931467.543 3732099.554 3488256.324 14699199.9 20638685.54 8328532.306 26130227.16 8332401.492 22255529.47 33298920.67 beta-citrylglutamate 3.98E+08 6.14E+08 1.25E+08 6.72E+07 3.55E+08 6.45E+08 1.75E+08 2.88E+08 3.17E+08 2.23E+08 2.95E+08 8.11E+08 1.18E+08 7.49E+06 7.67E+07 1.44E+07 4.56E+08 9.98E+08 8.63E+08 7.27E+07 2.08E+08 6.34E+07 1.08E+08 789064758.6 798676704.6 510223970.8 104713291.6 273997311.8 72710380.53 271395765.9 261140945.1 308000850.4 459086924.7 620852928.4 812819941.5 851601205.1 4543674.6 87481346.91 469199769.5 222051909.6 487363221.1 11820380.61 20393345.66 betaine 2.29E+10 1.25E+10 2.53E+10 3.20E+10 1.25E+10 2.80E+10 3.99E+10 1.55E+10 2.32E+10 3.96E+10 2.25E+10 1.31E+10 1.08E+10 8.64E+09 1.18E+10 1.00E+10 1.24E+10 2.39E+10 2.74E+10 2.33E+10 8.67E+09 7.59E+09 8.25E+09 16851323885 13738893712 12865450099 32395269718 12872339183 31215024901 10234783059 25350690398 20471893867 20108386654 12190237548 12098728224 12171481350 7330576562 7025729683 23391479487 22920244118 30315850910 10737764020 10686590951 Bis(2-ethylhexyl) amine 1.94E+05 4.32E+05 1.30E+05 6.20E+04 3.90E+05 4.24E+05 6.78E+04 6.09E+04 2.94E+05 2.76E+05 1.29E+06 2.32E+05 4.15E+05 2.66E+05 1.01E+05 4.53E+05 1.50E+05 2.71E+05 2.23E+05 1.26E+05 9.50E+05 1.15E+06 4.62E+05 194146.8414 106315.0945 332178.3711 193257.2925 350366.9604 159589.2678 1007.382486 178146.856 503785.1654 889429.681 1076.376329 532953.1728 371786.9836 878519.4454 342621.205 156834.3962 250520.9306 34070.12915 1205688.369 866075.438 Bupivacaine 2.09E+03 2.41E+03 2.38E+03 7.69E+02 1.56E+03 2.30E+03 1.48E+03 2.26E+03 7.66E+07 5.20E+07 8.31E+07 2.02E+03 3.35E+03 3.79E+03 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 1.63E+03 8.40E+07 4.37E+07 7.03E+07 2027.381738 2841.636854 2479.492885 988.7667309 1364.218301 1880.297323 1007.382486 1182.352355 71710912.21 58923465.41 1076.376329 1412.617754 1545.795302 4451.833386 2585.50794 1207.562202 1940.948452 988.4230609 13781986.85 21405110.71 C4-carnitine 9.94E+08 5.17E+08 6.29E+08 7.24E+08 2.39E+08 6.56E+08 1.02E+09 3.69E+08 8.32E+08 2.67E+09 1.31E+09 3.22E+08 4.03E+08 2.73E+08 3.40E+08 2.81E+08 6.87E+08 4.88E+08 4.61E+08 6.67E+08 8.93E+08 7.48E+08 7.16E+08 2445696525 1626805370 1680684802 2645258678 1875998190 2188992005 2984626824 2742695963 1929327965 2850473474 1439687933 1306599265 994699863.1 146413010.1 886621525.7 1518343821 1034509417 1175887338 321692193.6 544097700.4 C5-carnitine 2.84E+08 1.56E+08 1.65E+08 1.66E+08 1.69E+08 1.35E+08 2.26E+08 1.98E+08 4.18E+08 5.97E+08 4.95E+08 1.30E+08 1.22E+08 8.57E+07 7.91E+07 1.02E+08 8.21E+07 9.66E+07 1.98E+08 9.78E+07 1.50E+08 1.88E+08 1.20E+08 343702911 254105032.6 257337677.7 344527855.4 425534492.9 395934585.6 765247815.5 309767796.5 733110390.7 1048728982 130665710.8 161342579.9 108471975.6 58456312.4 116872658.7 133827856.7 102779013.3 82320149.81 131791107.8 284802341.4 caffeine 4.46E+06 6.56E+06 4.84E+06 2.43E+06 7.43E+06 5.93E+06 1.18E+07 2.22E+07 1.67E+07 1.40E+07 1.91E+07 5.32E+06 1.06E+07 2.05E+07 4.30E+06 1.99E+07 3.59E+06 3.04E+06 4.97E+06 1.52E+07 5.14E+07 5.95E+07 1.15E+08 2384764.235 2893502.478 3739346.073 2243860.381 3937563.892 4382675.571 12412182.73 14903473.65 23638468.69 15722841.96 1426864.922 2197524.909 1612628.366 35478420.84 39302674.41 3245603.612 22313479.35 8066935.137 99259678.03 61862611.96 Caprolactam 3.37E+07 5.85E+07 3.63E+07 2.21E+07 2.25E+08 4.37E+08 5.06E+07 1.64E+08 5.07E+07 4.13E+07 1.26E+08 2.73E+07 4.33E+07 1.75E+08 6.87E+07 5.65E+07 4.72E+07 1.28E+08 2.37E+08 3.17E+08 2.34E+08 1.89E+08 9.92E+07 30284169.57 38119487.34 41347674.08 14089745.92 30867671.29 53891172.21 58515168.94 105502395.3 58196331.9 70426079.49 12264620.04 11917400.21 16321238.35 102965517.4 66721339.66 48018845.36 168500287.1 114159708 234518217.1 113625211.5 carbamoylphosphate 9.01E+07 1.06E+08 1.19E+08 4.69E+07 1.03E+08 7.90E+07 5.70E+07 1.15E+08 8.92E+07 7.54E+07 8.11E+07 6.59E+07 6.62E+07 5.17E+07 6.82E+07 6.28E+07 6.29E+07 1.03E+08 7.58E+07 7.17E+07 8.87E+07 7.51E+07 1.07E+08 72809130.65 92128498.61 94375391.75 49385647.25 77417100.96 85956313.45 70597915 69597101.41 105273508.9 77980659.11 62772510.8 72258138.81 76040839.07 52819581.5 103238663.7 70652343.59 86545304.31 71059531.64 60236806.66 65696362.89 carnitinamide 2.15E+08 1.88E+08 2.04E+08 3.37E+07 9.85E+07 1.21E+08 1.09E+08 1.97E+08 1.59E+08 2.11E+08 1.62E+08 2.35E+08 3.30E+08 3.50E+08 3.34E+07 1.34E+08 6.54E+07 1.43E+08 1.28E+08 1.49E+08 1.97E+08 2.08E+08 1.88E+08 106481647.2 79880300.7 83702278.99 84538015.21 46540273.84 110289125.9 77047967.99 107154320.9 165306267.3 169139962.2 390939635.7 142177624.5 173539871.5 87084176.88 86531696.59 152686026.9 182996340.2 175763648.2 223835343.6 266253562.8 carnosine 7.42E+06 9.05E+06 4.72E+06 6.79E+06 3.18E+07 1.81E+07 1.26E+07 3.33E+07 4.37E+07 3.06E+07 3.18E+07 2.00E+06 2.44E+06 3.19E+06 5.19E+06 1.66E+07 1.84E+07 7.88E+06 9.04E+06 1.02E+07 2.45E+07 3.48E+06 1.77E+07 15458708.17 16505539.21 13862646.69 9933370.623 19454216.65 17094499.76 12678369.74 7857688.335 39052504.72 34701744.6 271303.5366 823738.4201 1222048.093 1053570.775 8706474.441 12893179.05 11218969.66 10501291.19 2371834.659 4020028.755 CDP 9.25E+06 9.06E+06 3.43E+06 2.92E+06 5.49E+06 3.31E+06 2.96E+06 3.06E+06 7.59E+06 2.27E+06 4.61E+06 1.31E+07 1.36E+06 1.07E+05 5.23E+05 8.00E+04 3.61E+06 4.01E+06 3.27E+06 2.79E+05 4.04E+06 1.92E+06 3.58E+06 1213521.933 1127104.176 635047.9699 651069.0782 660465.2287 299952.3564 1097199.814 961314.7667 1805868.497 1163843.066 514250.6429 807110.9728 476970.3608 4451.833386 2381009.174 247558.7484 835463.2859 973530.3617 462073.4614 798946.814 CDP-ethanolamine 3.96E+07 3.86E+07 3.02E+07 2.91E+07 4.15E+07 5.42E+07 2.82E+07 7.22E+07 4.42E+07 2.76E+07 3.21E+07 5.19E+07 3.75E+07 1.47E+07 2.50E+07 1.03E+07 2.19E+07 4.43E+07 5.15E+07 4.41E+07 3.14E+07 9.80E+06 3.69E+07 20072149.06 30141791.5 26638785.96 18646035.01 20182554.05 28746695.14 25851988.06 33919737.07 24559987.26 20643265.22 46516467.26 36610389.83 41217173.83 2062616.805 38532944.75 27040828.94 72927684.04 48300347.02 4759698.931 9280774.061 Cetrimonium 2.92E+08 3.96E+08 3.36E+08 1.09E+08 2.51E+08 3.24E+08 2.01E+08 3.70E+08 2.29E+08 2.10E+08 2.06E+08 2.92E+08 4.76E+08 5.24E+08 3.25E+08 6.53E+08 1.52E+08 2.54E+08 1.80E+08 2.26E+08 4.88E+08 4.19E+08 7.95E+08 290528744.2 428084863.8 347276803.2 136848743.9 221245607.1 265872154.9 131203053.2 171689290.7 395555284.2 191146905.5 151012096.1 233399775.8 262529964.6 739295676 439144470.7 165733016.7 269146460.3 137011814.5 787772463.2 731040062.6 choline 5.88E+09 4.12E+09 2.91E+09 6.95E+09 4.64E+09 7.38E+09 3.14E+09 4.15E+09 4.07E+09 5.24E+09 4.46E+09 6.55E+09 5.39E+09 4.98E+09 6.56E+09 5.70E+09 1.10E+10 7.28E+09 7.71E+09 9.20E+09 7.27E+09 8.22E+09 5.81E+09 8051343784 5009329902 5387128867 6131817944 7542273121 7942935362 4341574429 6185779457 6764945785 8741490413 2430092714 1946283225 2093299433 3160304995 4424058679 3426879086 5468754376 6271083550 6246336156 4656843524 cinnamate 5.11E+06 3.92E+06 4.25E+06 1.49E+06 2.85E+06 3.46E+06 2.57E+06 2.50E+06 4.09E+06 3.89E+06 4.28E+06 7.06E+06 1.02E+07 1.32E+07 4.07E+06 1.17E+07 3.57E+06 5.58E+06 5.48E+06 5.17E+06 1.39E+07 1.70E+07 1.65E+07 5960630.742 8317913.109 7046993.838 2018690.153 3864389.207 5500472.909 3189271.433 2568275.812 6666853.6 6441530.502 5512603.473 6170774.77 5111836.771 14942732.21 8095195.442 7463241.695 8295577.691 5123601.46 28824485.33 19131551.45 citicoline 2.72E+07 2.46E+07 2.25E+07 1.10E+07 2.85E+07 3.61E+07 1.05E+07 1.98E+07 1.57E+07 4.73E+07 4.04E+07 6.54E+07 4.54E+07 1.26E+07 1.91E+07 1.25E+07 2.55E+07 5.60E+07 7.88E+07 2.45E+07 1.79E+07 1.44E+07 2.92E+07 98428493.28 198327163.6 191362725.5 74259843.45 84027018.9 149320017.8 69393006.82 66737251.77 111648882.2 74453607.69 332581287.9 690466130.4 541253496.7 3313879.049 87186190.18 200561709.4 108425921.1 91528219.55 9214527.664 33185919.81 citrulline 3.88E+08 2.25E+08 2.26E+08 1.72E+08 7.51E+07 3.10E+08 1.53E+08 6.48E+07 1.15E+08 1.18E+08 7.71E+07 3.58E+08 8.51E+08 1.18E+09 3.22E+08 1.29E+09 1.59E+08 1.74E+08 1.83E+08 2.34E+08 9.69E+08 9.57E+08 8.87E+08 49195991.65 38646281.5 43169751.03 181426698.9 39469148.05 141971178.8 22422895.43 64124406.03 85015557.22 55402306.74 38259771.23 48306173.88 44913844.1 1055051189 625435547.9 156636626.5 209667753.1 69419929.39 1589381166 1358301231 CMP 2.48E+07 2.58E+07 1.74E+07 3.16E+07 4.04E+07 3.86E+07 1.92E+07 2.76E+07 1.84E+07 1.64E+07 1.33E+07 2.28E+07 1.63E+07 2.56E+06 2.33E+07 1.89E+07 3.37E+07 6.10E+07 2.62E+07 2.30E+07 2.63E+07 1.44E+07 2.59E+07 9365886.993 12004849.23 12116519.49 9779096.687 18446247.83 8412169.38 9093957.682 12736619.42 17261466.64 10159175.05 22003491.93 30179492.31 28674681.08 670486.2807 30177568.54 9813219.178 24718914.68 20642268.45 9961572.635 13062516.48 CMP-2-aminoethylphosphonate 4.43E+06 3.85E+06 5.12E+06 1.59E+06 4.42E+06 3.11E+06 2.61E+06 2.63E+06 4.64E+06 2.60E+06 3.51E+06 1.88E+06 2.65E+06 1.38E+06 1.92E+06 1.20E+06 1.29E+06 1.11E+06 1.84E+06 1.06E+06 1.85E+06 1.62E+06 2.05E+06 3115575.062 4224760.558 3826726.646 1615062.758 3243245.371 2261090.228 1585074.929 1878422.455 4011927.794 3240030.85 1668550.84 1532409.331 2179557.523 4451.833386 1164246.09 1208754.606 1597472.751 933594.7661 1268717.664 1147326.301 CMP-N-Acetylneuraminate 2.79E+07 3.16E+07 2.78E+07 9.20E+07 2.62E+07 3.29E+07 3.16E+07 3.54E+07 3.97E+07 2.61E+07 3.67E+07 2.74E+07 1.86E+07 3.45E+06 5.75E+07 1.08E+07 1.42E+07 6.27E+07 4.81E+07 3.65E+07 1.49E+07 1.33E+07 1.38E+07 17695218.13 29068539.77 21316505.76 25391940.12 47957438.34 17937874.55 19600104.99 22139956.36 42995385.84 30181417.45 62041313.3 69103471.28 48719901.08 1247246.386 46341025.21 33805614.8 60658104.85 67903248.98 3926550.457 9563839.3 Coenzyme A 1.56E+06 1.28E+07 6.56E+05 5.56E+05 1.58E+07 2.72E+06 5.41E+06 7.86E+06 1.78E+07 6.75E+06 1.72E+07 4.52E+06 6.16E+04 1.18E+05 2.28E+04 2.07E+04 2.01E+06 1.09E+06 1.53E+06 5.60E+04 4.70E+05 8.04E+04 5.33E+05 10900223.8 17180597.67 15254818.8 3048517.104 9951434.823 952885.6223 9685400.332 5169098.169 17688227.29 15634564.07 1541614.941 3003543.913 2077188.415 113613.4142 635913.7461 383650.9593 239501.0802 422267.2386 23386.85903 155532.0698 cortisol 2.94E+06 5.36E+06 3.34E+06 1.05E+06 4.45E+06 2.60E+06 3.50E+05 5.11E+05 1.82E+05 1.55E+03 1.39E+05 3.20E+06 5.75E+06 1.25E+07 2.67E+06 4.56E+06 2.06E+06 1.29E+06 2.10E+06 1.14E+06 1.63E+06 3.48E+05 1.39E+06 2027.381738 2841.636854 119077.8777 676068.0205 766955.3649 2120870.938 1007.382486 1182.352355 53601.74217 1433.168049 1076.376329 119311.1005 50748.85992 10067004.08 6838243.072 1823846.492 1812212.099 383316.0321 1492413.269 2194280.97 Cortisone 8.50E+05 3.76E+06 1.20E+06 3.55E+06 2.31E+07 2.83E+06 2.22E+06 4.38E+06 2.88E+06 1.87E+06 3.51E+06 1.13E+06 1.86E+06 3.64E+06 1.29E+06 2.82E+06 1.97E+06 5.68E+05 9.44E+05 2.27E+05 1.48E+06 2.66E+06 1.65E+06 5930894.159 6809462.361 6776612.763 5873155.306 24920569.61 9687554.292 5366830.339 2949917.24 3413463.001 3354219.835 535589.3205 1031115.508 740684.0983 3566139.325 3736692.085 2100637.877 1059601.787 374952.5817 2219462.091 979626.3894 creatine 7.58E+09 9.46E+09 5.78E+09 3.36E+09 9.40E+09 1.09E+10 6.24E+09 8.43E+09 9.55E+09 1.01E+10 9.34E+09 2.78E+10 1.68E+10 7.18E+09 2.18E+10 1.28E+10 2.12E+10 7.06E+09 9.21E+09 1.09E+10 2.17E+10 2.33E+10 1.74E+10 12099485455 11316801408 11299559159 6536412520 8325177493 8097618680 9424537205 8146925629 11705227691 10430797760 9403245852 8495651343 5749954001 7282364169 25260812989 7589437100 12993759259 10543561766 10622230102 18045603043 creatinine 1.27E+10 9.07E+09 1.00E+10 6.02E+09 7.69E+09 7.63E+09 4.28E+09 7.64E+09 6.66E+09 5.91E+09 6.66E+09 4.37E+09 8.80E+09 1.18E+10 4.31E+09 9.39E+09 3.14E+09 3.13E+09 2.77E+09 3.91E+09 6.86E+09 6.84E+09 7.15E+09 9437087595 9318706564 10234477128 8157556265 8854767684 5556371371 8237264945 9012479820 5837986966 6500832479 1737197687 1959734571 1756382409 10567022177 5814456634 2226231044 5439417583 2840490017 10006169616 9048329441 Cuminaldehyde 4.53E+05 8.88E+05 2.38E+03 7.92E+04 6.11E+06 5.18E+05 1.02E+06 4.29E+06 1.60E+03 2.88E+05 5.20E+04 5.85E+05 7.95E+05 2.03E+06 2.29E+05 5.24E+05 1.28E+05 1.17E+05 7.33E+05 5.26E+06 3.07E+05 3.93E+05 7.49E+05 434512.0356 316445.931 247166.6859 121413.5875 120307.406 1160615.545 3489449.977 3170644.146 918193.8322 330139.1223 230928.2337 82385.66302 129982.1957 2254523.242 492809.7791 67345.41001 1012977.744 364981.3905 509775.7508 843570.7679 cyclic ADP-ribose 1.58E+07 3.52E+07 3.14E+07 6.22E+06 4.80E+07 1.13E+07 1.54E+07 4.40E+07 2.17E+07 1.57E+07 2.12E+07 2.46E+07 1.10E+07 3.11E+06 1.50E+07 3.67E+06 1.39E+07 1.53E+07 8.70E+06 8.30E+06 9.02E+06 1.23E+07 1.79E+07 18357764.5 36828555.69 34548550.44 13683414.9 38272266.88 20216295.26 17586992.35 20169292.83 38224663.71 18924389.7 14861689.76 25419563.33 28736222.7 743601.4683 20901010.54 7661264.463 12451734.48 12652864.85 6716765.384 7541545.654 cyclic AMP 1.54E+07 1.19E+07 1.17E+07 2.44E+06 8.63E+06 4.85E+07 7.40E+06 1.76E+07 9.28E+06 6.51E+06 8.47E+06 1.18E+07 9.72E+06 2.24E+06 2.78E+07 2.17E+06 4.09E+06 2.32E+07 1.84E+08 5.98E+07 1.60E+07 4.61E+06 1.60E+07 6408418.784 7115254.916 6182536.984 2472878.201 3958677.337 4120705.188 6370364.022 5841932.607 6554749.578 6875738.329 2548199.991 1923490.466 2812901.434 253035.0782 13917821.48 5026118.999 20688129.57 40071274.2 415505.3883 2675948.409 cystathionine 4.65E+06 1.71E+06 3.42E+06 2.17E+06 1.61E+06 3.38E+06 1.01E+07 2.16E+07 1.27E+07 9.98E+06 1.16E+07 1.20E+06 3.17E+06 2.05E+06 8.45E+05 3.76E+06 2.28E+05 5.84E+05 1.07E+06 2.85E+06 6.75E+06 9.50E+06 4.87E+06 549756.2744 573097.001 455537.5008 1314223.779 1009282.839 1356167.654 8547123.251 24285028.81 6080723.657 8880291.459 73724.41774 99907.46531 22343.29797 1261605.891 1151235.947 317522.9316 5187988.794 1478401.71 10151470.14 11210804.7 cysteate 1.69E+06 2.45E+06 1.23E+06 4.88E+05 1.29E+06 1.74E+06 1.54E+06 2.47E+06 3.80E+06 3.88E+06 6.93E+06 2.47E+06 5.78E+06 1.05E+07 2.42E+06 4.94E+06 1.42E+06 2.47E+06 7.04E+06 2.68E+06 2.22E+06 4.40E+06 2.50E+06 998354.7112 1080299.392 1072376.871 744993.0794 1484623.501 983340.9775 604021.6751 1005218.422 5600235.793 3060273.282 764359.016 527846.2538 760129.5163 5523051.899 926712.0775 441307.2394 2297176.752 532750.9651 29211719.92 10328331.25 cysteine-S-sulfate 5.88E+05 2.15E+05 4.57E+05 2.39E+05 4.62E+05 5.10E+05 4.10E+05 6.73E+05 5.93E+05 2.82E+05 5.74E+05 2.15E+06 7.68E+06 3.62E+07 6.84E+05 3.23E+07 7.42E+04 6.29E+05 1.82E+05 4.92E+05 1.15E+06 1.38E+06 5.55E+05 56573.46391 47208.02794 45853.01146 226144.0183 191519.2489 618905.2317 148883.0656 219787.3507 302706.1131 453593.2626 1076.376329 1412.617754 1545.795302 87946639.56 1717089.473 1207.562202 579496.0124 34612.50474 7340703.6 9698707.268 cysteinylglycine 1.66E+07 1.81E+07 2.11E+07 3.80E+06 7.80E+06 1.31E+07 8.31E+06 1.63E+07 1.95E+07 1.23E+07 1.86E+07 1.43E+07 1.06E+07 2.38E+06 9.70E+06 1.52E+06 1.16E+07 3.59E+06 1.64E+07 1.03E+07 1.83E+07 1.53E+07 2.08E+07 12365856.87 18276005.26 18758941.19 5483694.687 5836688.787 10194199.03 10258332.96 9366750.176 13621940.17 15345695.54 16102479.94 22211278.01 25947102.57 28776.13861 9852104.02 16506600.28 12376800.52 6470205.948 6309297.627 6500050.863 cystine 5.69E+07 1.98E+07 3.42E+07 1.20E+07 2.73E+07 2.72E+07 4.35E+07 2.21E+07 5.73E+07 1.76E+08 1.02E+08 2.15E+08 4.38E+08 7.34E+08 3.81E+07 6.71E+08 1.48E+07 8.08E+06 1.43E+07 7.84E+07 2.53E+08 2.70E+08 1.29E+08 99475474.52 63713570.73 45959124.17 24074219.28 7389946.379 58750594.72 5224162.279 40392627.71 163201183.4 162059346.1 27442603.84 18880370.09 18968125.11 330163683.3 47674671.41 16908434.46 62984339.02 11267391.17 783282197.9 917091976 cytidine 2.36E+07 3.59E+07 1.15E+07 5.85E+06 1.75E+08 8.59E+07 3.89E+07 7.12E+07 2.00E+08 1.44E+08 2.66E+08 1.05E+07 1.96E+08 9.54E+07 4.72E+07 3.10E+07 1.64E+08 1.36E+08 2.74E+08 2.80E+08 6.30E+07 2.41E+07 7.54E+07 56154678.18 69640765.2 72877015.58 18080471.62 141724466 37085955.4 211804932.2 73125705.97 211104279.3 263041397.9 134485762 71051212.75 86476030.19 15889873.78 138700538.4 49505040.61 115935760.3 55138282.74 7754955.522 9785943.103 Decanamide 1.51E+07 2.86E+07 2.86E+07 1.53E+07 4.12E+07 1.00E+08 1.74E+07 1.40E+08 9.59E+06 1.71E+07 3.83E+07 5.02E+06 2.18E+07 1.90E+08 4.97E+07 2.58E+07 3.65E+07 3.03E+07 6.69E+07 3.91E+07 9.94E+07 4.29E+07 2.85E+07 8171052.228 30146965.82 17824121.94 7858915.017 27339137.1 25998209.36 14080224.27 21441205.61 8308109.553 20810972.88 2678200.924 3601467.357 5366004.644 78094210.28 41572136.06 19219941.97 40498522.28 14297000.75 34339308.41 34873841.6 decanoate 1.30E+07 2.98E+07 1.31E+07 7.66E+06 2.00E+07 1.71E+07 1.71E+07 3.12E+07 7.32E+07 4.09E+07 5.18E+07 1.79E+07 3.58E+07 5.84E+07 1.78E+07 3.29E+07 1.07E+07 4.03E+07 1.60E+07 5.48E+07 1.59E+08 9.20E+07 1.73E+08 6120829.429 7601752.179 5680178.672 4102484.475 23549112.72 9628619.462 8645529.324 16999092.76 74282231.09 40316327.87 883991.9431 3316668.762 2382901.286 84149156.79 30187668.01 8503102.882 66367101.63 25959107.96 77561196.94 73017265.59 decanoylcarnitine 2.13E+07 3.24E+07 3.10E+07 1.06E+07 1.84E+07 1.79E+07 2.04E+07 2.22E+07 3.43E+07 1.07E+08 7.65E+07 3.34E+07 3.25E+07 7.17E+07 1.47E+07 2.96E+07 1.24E+07 5.60E+06 1.65E+07 1.44E+07 4.56E+07 5.85E+07 4.92E+07 16864677.13 20586714.69 20737839.47 44764648.19 54096780.33 39611093.72 38165530.98 65869621.01 101986901.2 73289306.6 6158730.724 12795410.66 10080457.65 37194135.16 49652403.68 18803756.35 35630946.36 20926043.51 72796561.82 85199623.13 DEET 1.24E+07 3.70E+07 1.22E+07 1.09E+07 2.93E+07 1.55E+07 2.45E+06 1.05E+07 1.05E+07 7.97E+06 2.92E+07 1.19E+07 1.55E+07 1.34E+08 3.59E+07 1.56E+07 2.74E+07 6.28E+06 8.13E+06 2.49E+07 5.44E+07 3.68E+07 1.97E+07 11017825.57 17410643.05 13691527.59 5362952.886 16429025.64 2317300.308 3720724.513 6678632.025 11848252.36 14646018.21 4690383.321 2066347.124 5210883.001 46230518.6 28702125.63 2708589.475 10194347.75 6945050.963 43033526.31 20665704.03 deoxycarnitine 6.61E+08 2.69E+08 6.90E+08 1.87E+09 2.33E+08 4.71E+08 1.02E+09 1.92E+08 5.11E+08 8.46E+08 4.71E+08 7.00E+08 3.46E+08 1.73E+08 3.86E+08 2.22E+08 5.65E+08 3.88E+08 5.04E+08 3.33E+08 3.20E+08 2.94E+08 3.08E+08 356252948.4 306091005.6 286483411.3 1187698176 304982311 800915890.5 280911440.2 409846995.1 430251749.6 456781578.5 723881276.5 489142334.3 426549387.5 129932763.9 303649470.1 298008021.2 218205324.5 287507913.4 196339326.1 228081068.8 deoxycholate 7.72E+06 6.51E+06 6.63E+06 8.49E+06 9.30E+05 1.51E+06 3.05E+06 2.44E+06 3.65E+06 2.29E+06 2.48E+06 4.99E+06 1.68E+07 2.27E+07 4.96E+06 3.36E+07 7.53E+05 5.04E+06 1.84E+06 2.62E+06 1.57E+07 1.38E+07 2.46E+07 4553220.055 8002799.33 6982856.327 3474089.419 974309.8534 2904963.465 342100.3415 1058973.32 3343159.849 1666788.5 2606221.676 4089375.424 4354412.513 55619383.83 13991399.78 1306033.245 8780574.448 1856322.009 19610187.21 22338495.53 deoxycytidine 8.87E+06 2.63E+06 5.96E+06 4.59E+06 5.56E+06 7.87E+06 1.87E+06 3.50E+06 2.17E+06 6.29E+06 6.85E+06 4.52E+06 2.61E+06 1.04E+07 2.40E+06 5.17E+06 2.59E+06 7.47E+06 1.53E+07 7.72E+06 9.69E+06 1.97E+07 3.06E+07 25614585.86 27696363.72 26934973.67 16008525.22 11558603.5 45071650.88 20283048.71 19014912.49 19620837.22 17948477.97 76714996.59 65517295.03 81560085.96 9174966.207 8897001.48 261560265.2 13467983.83 15342236.33 39274747.11 20278523.53 diacetylspermine 4.16E+08 3.27E+06 6.77E+07 2.06E+06 1.43E+06 1.44E+06 6.05E+05 2.73E+06 4.47E+05 2.91E+05 4.17E+05 1.96E+08 1.34E+06 1.46E+06 7.97E+05 3.41E+06 5.74E+05 2.02E+06 9.19E+05 8.22E+05 5.51E+07 4.20E+08 4.80E+07 4787735.857 3745652.061 5192859.307 557669.8088 755531.2172 1242305.134 715729.3855 461947.5983 3000845.461 423691.5669 365347.65 186761.4178 263816.6918 2596503.497 2985977.267 463533.3202 1327156.801 602032.3558 184156196.4 117761988.6 Dibutyl phthalate 2.90E+07 6.45E+07 3.16E+07 1.32E+07 9.28E+07 9.01E+07 2.90E+07 1.08E+08 4.51E+07 4.10E+07 1.27E+08 2.60E+07 4.05E+07 1.35E+08 4.84E+07 6.59E+07 4.14E+07 3.41E+07 4.91E+07 8.61E+07 2.15E+08 1.62E+08 1.40E+08 27011388.53 47351480.47 30999116.27 17058086.26 52957829.13 28611968.19 29208785.35 40833011.19 68306252.52 61263403.84 12960539.57 22236278.75 29166002.96 111343190.6 88683307.96 22348849 65683707.82 25997207.83 170216194.2 102126541.1 Didecyldimethylammonium 1.91E+08 1.10E+08 2.50E+08 1.10E+08 2.23E+07 1.27E+08 3.08E+08 1.76E+08 5.18E+08 6.04E+08 1.48E+09 1.20E+08 5.25E+08 1.28E+07 9.03E+06 1.17E+09 6.97E+07 1.40E+07 3.20E+07 5.60E+06 2.05E+09 2.67E+09 1.92E+09 60888201.21 52144610.38 49845028.56 527542282 70183116.3 214998772.4 68595496.15 104816475.7 1329995982 1523869552 51407937.04 31284769.36 37169119.34 13501535.96 30106753 164158910.9 47365182.09 3771923.824 2465390000 3738997746 diethanolamine 1.09E+08 1.53E+08 9.98E+07 9.59E+07 1.25E+08 3.27E+08 1.20E+08 2.71E+08 1.66E+08 1.35E+08 1.15E+08 1.13E+08 1.84E+08 1.02E+09 7.27E+08 9.08E+08 1.90E+08 4.10E+08 2.31E+08 6.80E+08 4.73E+08 2.72E+08 3.50E+08 68437038.64 44048793.55 50151458.39 97272840.05 120346655 99379514.89 141456464.9 270062711.3 139832219.1 70597426.88 43494420.94 10522057.81 32488287.41 3087033929 418882851.5 113396979.2 490350750.6 217759168.1 418655735.4 601863192.4 dihydrobiopterin 5.38E+06 3.77E+06 3.69E+06 3.52E+06 6.78E+06 4.52E+06 1.53E+06 4.64E+06 1.42E+07 5.13E+06 1.07E+07 7.19E+05 1.82E+06 3.45E+05 2.08E+06 1.28E+06 3.28E+06 1.31E+06 4.38E+06 4.87E+06 3.32E+06 8.82E+05 2.48E+06 7901627.783 7617435.191 8769268.859 4742793.452 8775533.395 4167056.462 11339545.84 5353504.405 3946779.588 5894933.276 1766985.244 2034172.434 4106908.242 179163.1492 3075527.647 4358709.994 4555368.905 5607080.946 523442.9795 2799059.049 dihydroorotate 2.18E+06 1.30E+06 1.94E+06 2.07E+06 4.11E+05 1.29E+06 1.08E+06 7.08E+05 3.91E+05 4.86E+05 2.66E+05 5.91E+06 2.72E+06 4.75E+06 5.28E+06 5.60E+06 7.64E+05 7.43E+05 6.21E+05 1.66E+07 1.18E+07 7.83E+06 2.91E+06 702041.0104 626880.3091 888593.578 1812895.552 375245.8768 1679886.137 528165.3977 1002046.916 1283558.355 529935.7224 134020.4482 148335.5394 173332.9893 5792334.609 5843932.381 704330.6334 8186182.029 36391084.12 10884087.07 18100511.97 dihydrouracil 9.42E+05 2.41E+03 2.38E+03 7.69E+02 1.56E+03 1.01E+06 1.48E+03 2.26E+03 1.60E+03 2.49E+06 1.46E+03 1.42E+06 3.35E+03 2.40E+06 6.22E+05 3.30E+06 5.77E+05 1.55E+06 2.56E+06 1.63E+03 3.51E+06 3.61E+06 2.60E+06 2257326.742 2014195.166 1799006.533 5412966.894 501445.8783 9548683.298 1007.382486 3322238.662 2758667.002 2103767.308 6427224.217 4956143.546 5507230.803 2335153.743 2707194.76 9553138.333 7169093.959 7124369.696 3619023.005 8266544.544 Dinoterb 2.27E+07 2.74E+07 2.54E+07 8.94E+06 1.45E+07 2.54E+07 1.53E+07 2.56E+07 1.77E+07 1.66E+07 1.54E+07 2.38E+07 3.44E+07 4.67E+07 2.17E+07 5.11E+07 1.19E+07 1.42E+07 1.58E+07 1.63E+07 3.89E+07 3.50E+07 5.00E+07 22198294.92 28039058.53 26297045.55 10998943.79 15431522.34 19901346.71 11177644.72 14671049.7 25612564.81 16163280.75 11924064.88 15884612.82 14496047.95 48797669.14 29296733.7 13002917.97 21825974.04 11917171.03 62427535.04 57232209.17 dipalmitoylphosphatidylcholine 7.88E+08 1.90E+09 1.87E+09 3.39E+07 1.92E+08 3.16E+08 4.34E+08 6.73E+07 1.66E+08 1.82E+08 1.03E+08 1.41E+09 1.37E+09 1.38E+08 8.35E+07 1.15E+09 4.30E+08 1.10E+08 3.78E+07 7.00E+07 4.29E+08 1.51E+08 8.32E+08 573461817.4 1102036823 724784738.8 229469030.4 376569844.3 727317444.3 82572519.65 36343792.23 270832998.9 103714217.8 424477428 753466983.2 580347050.1 236839730.4 252701397.3 505713470.9 62379674.37 36347115.27 1045742531 904313652.7 Dodecanedioate 2.86E+06 4.92E+06 2.71E+06 1.99E+06 7.41E+06 5.26E+06 3.47E+06 9.37E+06 1.65E+06 1.58E+06 2.20E+06 2.64E+06 4.62E+06 9.67E+06 5.63E+06 7.07E+06 3.05E+06 3.75E+06 4.94E+06 9.49E+06 5.67E+06 5.30E+06 5.65E+06 2169234.818 2815317.934 4752240.796 2783798.586 3895093.697 2524325.509 3470920.197 5438961.51 2795182.673 1617050.681 751661.3938 1414211.659 1415595.699 11906138.83 6532835.373 2151057.564 29620099.36 4942349.497 5697914.621 5042009.588 dodecenoylcarnitine 1.76E+07 3.49E+07 2.49E+07 9.84E+06 2.03E+07 1.38E+07 2.39E+07 2.18E+07 5.82E+06 2.27E+07 2.24E+07 1.24E+07 1.48E+07 3.04E+07 1.22E+07 9.00E+06 1.49E+07 4.38E+06 1.54E+07 9.36E+06 1.31E+07 1.06E+07 1.19E+07 10903999.3 14416761.45 11774800.99 19368211.24 35226946.75 13102503.8 19596738.69 32266778.8 13004852.93 13472134.45 3033813.916 5310130.921 5113376.058 12344423.96 22064300.82 11097069.89 17652992.65 10178601.82 15033260.65 11761941.57 dodecyl sulfate 1.01E+08 9.60E+07 8.84E+07 1.45E+08 2.83E+07 8.90E+07 3.03E+07 7.85E+07 3.40E+07 5.22E+07 6.20E+07 7.15E+07 1.63E+08 2.47E+08 1.05E+08 1.51E+08 7.16E+07 2.83E+08 5.30E+07 8.49E+07 9.04E+07 7.30E+07 1.29E+08 82327331.76 118061751 101940824.3 16271768.54 31326784.6 19558897.32 37210881.61 45650863.48 48418708.99 65075115.13 39725685.59 51130534.42 61597589.45 587701614.6 77432528.37 24872329.32 97425475.96 41301219.72 108988897.5 111411042.5 dTMP 2.09E+03 1.06E+04 2.90E+04 5.17E+04 3.24E+04 2.30E+03 1.48E+03 4.59E+04 1.60E+03 2.55E+04 6.57E+04 2.02E+03 3.35E+03 3.79E+03 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 1.17E+04 3.83E+04 3.10E+03 4.82E+03 310684.2639 268275.1345 445533.7117 257476.2462 313635.4575 81248.49843 187245.8958 69692.37372 122025.9048 100970.1767 63283.61395 36316.58129 44525.41519 4451.833386 32106.12479 140523.2876 39340.04078 144749.8232 5498.547487 5370.189143 Ecgonine 4.96E+06 6.07E+06 9.35E+06 2.94E+06 1.96E+07 9.10E+06 5.82E+06 7.42E+06 7.74E+06 9.79E+06 9.03E+06 1.28E+07 8.29E+06 3.28E+06 4.39E+07 7.36E+06 3.87E+07 1.01E+07 2.47E+07 1.39E+07 7.50E+06 7.24E+06 7.09E+06 4605951.584 4988009.435 6343677.874 12555316.94 17010928.08 12562416.53 8222303.865 8790781.776 9299371.431 6821884.624 19910998.33 35996537.04 24696436.45 8332506.428 17414765.74 14773589.57 6444492.753 19386952.1 3659239.454 3079139.805 eicosapentaenoate 1.50E+07 2.57E+07 1.51E+07 6.00E+06 4.28E+07 8.87E+06 7.48E+06 3.64E+07 8.54E+06 6.49E+06 1.02E+07 1.60E+07 6.71E+06 9.63E+06 5.15E+06 3.78E+06 8.18E+06 2.07E+07 7.43E+06 1.77E+07 8.67E+06 1.42E+07 7.02E+07 22255259.74 24988023.66 24888375.77 4429539.823 24803731.15 9247633.831 31026091.94 16438936.09 20710451.42 17694528.7 1975574.874 2128916.637 3617490.165 35439454.79 6594994.37 2386306.339 14726721.77 13079213.58 28158740.83 13870141.75 Ephedrine 2.09E+03 2.41E+03 2.38E+03 7.69E+02 1.56E+03 2.30E+03 6.70E+07 3.06E+08 1.97E+08 1.68E+08 2.16E+08 2.02E+03 3.35E+03 3.79E+03 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 4.58E+07 2.94E+07 2.55E+07 2.80E+07 2027.381738 2841.636854 2479.492885 988.7667309 1364.218301 1880.297323 198375450.5 204883805.9 219557555 199886425.2 1076.376329 1412.617754 1545.795302 4451.833386 2585.50794 1207.562202 101167386.5 39303888.48 10409293.89 16541813.04 epsilon-(gamma-glutamyl)lysine 1.16E+08 2.21E+08 6.49E+07 8.12E+06 1.25E+07 2.72E+07 1.07E+07 1.76E+07 1.10E+07 7.14E+06 8.61E+06 7.29E+07 3.31E+07 8.61E+07 2.18E+07 4.23E+07 1.74E+07 5.10E+07 3.91E+07 1.44E+08 2.28E+07 9.70E+07 1.40E+07 4755714.986 4965372.129 3589339.128 3881199.183 2872411.668 5000938.186 4122952.991 7400258.886 7000455.468 3963901.562 2436177.646 2304216.383 2053973.59 51629139.46 51781519.05 3929870.479 28304768.32 16435750.8 19297878.47 77505732.21 ergothioneine 1.70E+08 9.24E+07 2.15E+08 6.81E+06 8.69E+07 2.33E+08 5.37E+07 4.86E+07 2.83E+07 4.18E+07 2.40E+07 1.10E+08 1.57E+08 7.06E+07 3.90E+07 5.51E+07 4.34E+07 3.46E+08 3.84E+08 2.02E+08 5.69E+07 7.39E+07 8.95E+07 42092976.34 67889201.87 59027209.16 14802249 16822730.55 193654205.6 15506045.39 51830823.34 63130622.02 29812269.76 186937583.2 455996277 313334450.8 21079130.93 58249523.68 188019752.4 70594243.26 152092257.6 105194549.2 59051504.53 erucate 1.09E+07 3.93E+07 1.27E+07 3.30E+06 1.29E+08 1.59E+08 7.95E+07 2.30E+08 1.54E+07 1.51E+07 1.96E+07 6.31E+07 1.54E+07 5.01E+07 6.37E+06 2.08E+07 1.12E+07 1.75E+08 9.05E+07 1.88E+08 5.06E+07 4.60E+07 5.36E+07 8552419.642 8554724.036 7957172.241 6498791.424 15970422.33 76169736.14 45541726.1 62407020.07 12423858.54 15654756.5 7749540.3 9568165.116 13478032.38 66253448.26 24104693.99 46896807.76 131928482.2 44977926.47 88225617.04 76172291.43 esomeprazole 2.09E+03 2.41E+03 2.38E+03 1.19E+08 1.56E+03 2.30E+03 1.48E+03 2.26E+03 1.60E+03 1.55E+03 1.46E+03 2.02E+03 3.35E+03 3.79E+03 2.07E+08 4.27E+08 6.41E+07 1.55E+03 1.32E+03 1.63E+03 3.50E+03 3.10E+03 4.82E+03 2027.381738 2841.636854 2479.492885 90923324.41 50014193.16 1880.297323 1007.382486 1182.352355 2359.459188 1433.168049 1076.376329 1412.617754 1545.795302 226611793.4 139141964.3 1207.562202 1940.948452 988.4230609 5498.547487 5370.189143 ferulate 4-sulfate 8.63E+06 4.55E+06 3.72E+06 3.98E+04 3.92E+05 1.69E+06 1.96E+05 7.32E+05 6.14E+05 3.63E+05 5.05E+05 4.91E+05 2.45E+06 3.47E+06 9.61E+04 2.25E+06 1.73E+04 2.50E+04 3.26E+04 4.17E+04 1.24E+06 1.44E+06 1.78E+06 3068287.838 4283301.477 4260507.891 160586.231 521838.7981 217288.3955 503085.1119 421642.5931 300539.1095 392610.665 19523.84743 10669.70954 11089.73333 2746121.462 104997.0652 1207.562202 956202.7231 14085.197 5993447.465 4889527.92 flavin adenine dinucleotide 8.70E+06 1.95E+07 6.38E+06 4.00E+06 3.86E+07 9.89E+06 7.97E+06 1.80E+07 3.55E+07 1.03E+07 3.88E+07 4.37E+06 3.98E+06 8.25E+05 3.89E+06 2.30E+06 1.09E+07 6.62E+06 7.45E+06 5.17E+06 3.73E+06 4.09E+06 2.69E+06 18670164.76 28131216.6 25217614.07 6317950.896 32839301.81 5263277.391 27495473.34 14067864.22 15680743.13 25805285.34 4761830.97 4684838.73 5834636.668 296692.4718 6088727.394 2569876.856 4505020.861 3729800.782 2426350.868 1562193.025 flavin mononucleotide 6.30E+05 1.34E+06 7.68E+05 8.68E+05 3.00E+06 1.37E+06 2.50E+05 1.05E+06 2.16E+06 6.35E+05 2.89E+06 1.50E+05 1.12E+05 2.91E+05 8.24E+05 4.56E+05 7.47E+05 2.17E+05 7.74E+05 2.05E+05 3.50E+03 2.02E+05 3.53E+04 1422431.326 2301754.792 1805438.575 1942779.272 4348688.475 485166.8226 2431389.752 1504822.935 543262.8297 1326169.753 505704.9637 310940.6673 474228.5944 551279.0566 404727.2105 241757.2719 254652.2959 162415.1849 5498.547487 49081.5293 formiminoglutamate 3.21E+07 1.81E+07 1.68E+07 4.43E+06 3.97E+06 1.09E+07 2.91E+06 5.68E+06 1.87E+07 1.57E+07 2.02E+07 5.82E+06 1.64E+07 2.20E+07 3.64E+06 1.38E+07 1.42E+06 2.10E+06 7.07E+06 3.49E+06 2.07E+07 2.39E+07 2.46E+07 22118154.87 23614685.82 25532611.63 11554548.45 7648445.164 4248458.941 4676496.007 6757293.127 15902189.49 19478974.36 1096202.896 1274533.315 637704.261 10459605.53 4710691.763 1078237.906 2929439.91 732629.8243 51857439.91 42456829.06 gamma-glutamylalanine 5.46E+06 1.18E+07 3.08E+06 2.11E+06 5.26E+07 2.79E+07 1.17E+07 2.87E+07 3.13E+07 2.78E+07 6.30E+07 1.88E+07 1.27E+07 4.61E+07 1.03E+07 1.22E+07 4.03E+07 6.26E+07 6.11E+07 5.49E+07 6.28E+06 9.26E+06 6.40E+06 6539450.339 5294266.56 4214553.87 6929612.441 27714936.34 8596147.901 30564945.04 24408633.6 105704409.3 88730753 2641251.928 3658390.449 3264960.162 29390853.56 7742572.281 4024747.378 12048340 10941622.16 14725290.61 8657248.48 gamma-glutamylcysteine 2.00E+07 4.85E+07 1.30E+07 2.65E+06 6.13E+07 3.23E+07 2.19E+07 4.73E+07 7.80E+07 4.92E+07 1.12E+08 4.43E+07 3.48E+07 1.65E+07 1.82E+07 3.95E+06 2.36E+07 1.88E+07 2.21E+07 5.35E+07 1.30E+07 1.88E+07 1.64E+07 69169765.13 75874815.19 82000313.36 19240791.41 53020596.03 35290460.11 82008535.58 55446738.13 140529454 147391455.6 18939990.41 19838156.65 23486926.89 261250.6174 6715918.793 22680768.86 18944786.7 7910405.098 9813861.115 8450917.232 gamma-glutamylglutamate 1.98E+07 1.99E+08 6.78E+06 3.65E+06 3.71E+08 1.03E+08 1.09E+08 3.58E+08 3.76E+08 2.15E+08 3.37E+08 1.78E+08 5.66E+07 1.12E+07 2.36E+07 8.06E+06 3.79E+08 4.54E+08 2.74E+08 3.63E+08 2.17E+07 4.21E+07 2.22E+07 34120957.31 27288954.06 18875888.89 21190611.15 95493456.66 12314320.82 118153001.7 99478857.04 380422121.5 250995523 63578521.38 37877924.77 53319656.82 10874160.77 39773520.66 25350510.15 46561756.46 105851861.7 16428628.14 10735008.53 gamma-glutamylglycine 1.46E+07 1.89E+07 6.92E+06 5.16E+06 3.57E+07 3.07E+07 1.76E+07 3.03E+07 5.24E+07 5.20E+07 5.58E+07 1.58E+07 1.66E+07 5.30E+07 1.03E+07 2.76E+07 2.86E+07 3.38E+07 2.08E+07 4.67E+07 1.48E+07 2.10E+07 1.27E+07 7633533.892 6369155.64 4606707.188 11510397.31 12625149.29 9407409.094 15663527.97 22944890.58 74092098.43 63803974.38 1975193.166 1439924.505 1678518.599 27381264.29 14309144.56 3499103.442 15610814.6 7886669.673 18812722.91 12893214.03 gamma-glutamylproline 1.47E+07 1.41E+07 1.03E+07 6.90E+06 1.74E+07 1.97E+07 1.04E+07 2.10E+07 1.39E+07 1.05E+07 1.33E+07 1.16E+07 9.29E+06 2.48E+08 1.09E+07 3.82E+07 5.71E+06 1.98E+07 1.36E+07 3.26E+07 7.79E+06 1.29E+07 9.16E+06 10983155.61 12034089.68 12125886.62 9344742.858 15571432.91 11878885.13 10423918.58 11684873.71 16322328.31 14272796.91 4302425.364 4201382.061 5678470.481 169815481.6 22571107.72 8101117.679 15935918.89 10107942.51 13611901.3 15007190.95 GDP 3.00E+07 2.38E+07 1.27E+07 1.19E+07 2.95E+07 1.18E+07 1.20E+07 1.06E+07 3.28E+07 1.62E+07 2.88E+07 7.65E+07 8.92E+06 1.94E+06 2.21E+06 9.55E+05 1.32E+07 9.12E+06 9.01E+06 2.01E+06 7.72E+06 4.57E+06 5.65E+06 27554164.95 26815998.22 18015039.92 8280550.009 13442362.81 4456132.956 16356769.26 11562969.96 16884532 15740627.4 10746865.13 14908431.51 12722602.55 74283.99975 7325949.264 6462819.055 5419565.269 8062483.733 3124319.517 2792545.419 GDP-fucose 1.13E+07 1.01E+07 6.59E+06 5.12E+06 7.61E+06 9.20E+06 6.01E+06 6.15E+06 8.38E+06 5.34E+06 8.69E+06 1.03E+07 3.31E+06 6.70E+05 1.63E+06 2.04E+06 4.20E+06 1.05E+07 1.09E+07 5.32E+06 4.21E+06 2.79E+06 3.75E+06 7352002.617 9230586.584 7030131.294 4065091.809 4183419.465 2697057.15 5309262.636 5191657.712 6559427.683 7560684.44 8279827.636 8884131.63 10002601.33 98562.22828 6680254.449 4529407.971 3427498.511 4949989.872 1502965.898 1395850.996 GDP-hexose 2.19E+07 9.99E+06 5.69E+06 8.87E+06 1.36E+07 1.10E+07 9.75E+06 9.83E+06 1.10E+07 6.90E+06 1.14E+07 2.22E+07 4.80E+06 1.29E+06 1.81E+06 1.68E+06 7.43E+06 1.85E+07 1.89E+07 5.02E+06 5.94E+06 3.64E+06 3.23E+06 10843039.84 11529651.87 9339651.129 7800699.975 6066157.97 4670407.324 14070904 11509781.56 7517290.485 10595011.28 66509852.72 67777198.31 78144593.8 262119.1664 8492160.252 23563364.47 7664201.995 16753787.33 2058059.322 2052028.625 glucosamine 6-phosphate 9.63E+06 9.28E+06 9.63E+06 9.17E+06 1.81E+07 2.77E+07 9.80E+06 4.68E+07 4.50E+06 4.28E+06 2.08E+06 1.07E+07 6.51E+06 6.47E+06 1.37E+07 3.30E+06 9.77E+06 3.15E+07 2.67E+07 2.62E+07 4.10E+06 5.16E+06 5.29E+06 8139328.06 7300803.612 7243445.39 7101284.02 8064827.414 24838625.67 17401932.22 11634986.68 6898338.247 5400310.142 6898365.432 9279594.574 11077579.3 2461045.591 12510245.99 12249255.03 15201837.34 15421722.63 11402969.67 28532652.12 glutarylcarnitine 1.33E+08 2.05E+08 8.40E+07 7.18E+07 1.54E+08 3.79E+07 9.48E+07 1.74E+08 1.70E+08 8.84E+07 1.65E+08 2.66E+07 5.00E+07 5.60E+07 6.89E+07 4.69E+07 2.53E+07 1.15E+07 1.54E+07 1.63E+07 2.20E+07 1.82E+07 1.88E+07 291541056.8 315269545.1 310758954.6 141558734.6 300321177.5 56893310.63 266005416.6 111264802 118366482.1 157521994.1 27740523.83 70753263.54 83937896.56 40660174.1 22113398.69 14938853.94 37099775.07 19211004.8 24637137.29 21995763.53 glutathione reduced 2.24E+09 2.59E+09 3.07E+09 8.04E+08 1.14E+09 1.94E+09 1.13E+09 2.22E+09 1.71E+09 1.02E+09 1.31E+09 2.06E+09 1.84E+09 5.54E+08 2.36E+09 4.64E+08 2.12E+09 7.47E+08 2.53E+09 1.87E+09 2.47E+09 1.96E+09 2.96E+09 1497662839 2157259178 2261483353 742509843.1 854753196.5 1417610011 1320956426 1197143882 1540778457 1279563466 2324685196 2742487339 3264357571 29254730.67 1725291609 2377145046 1988494198 1210971944 1020613760 1398648714 glycerol 2-phosphate 1.51E+08 1.59E+08 2.62E+08 1.21E+09 2.69E+08 9.65E+07 3.00E+08 2.19E+08 1.89E+08 2.47E+08 1.55E+08 6.01E+07 7.25E+07 3.33E+07 2.36E+08 6.28E+07 1.29E+08 2.97E+08 1.29E+08 3.36E+08 1.42E+08 1.86E+08 1.78E+08 100036647.8 148678276.7 150226428.3 346069118.4 238769620.8 208818218.5 107751279.2 237470501.2 280602163.7 175986961.7 106269945.8 212888809.8 212596197.7 23915988.46 110871181.8 122291891.5 170512846.6 346394664.7 89055630.98 75715984.1 glycerophosphocholine 2.14E+10 2.06E+10 2.97E+10 8.24E+10 2.97E+10 1.49E+10 3.35E+10 2.42E+10 2.54E+10 2.59E+10 2.15E+10 6.33E+09 1.22E+10 4.17E+09 2.55E+10 9.54E+09 1.27E+10 2.85E+10 1.70E+10 3.72E+10 1.73E+10 1.77E+10 2.02E+10 12409609071 17294392666 17452160415 30293710620 23040282313 19231664355 13912816884 24818234194 27397085070 20860513654 13945896883 21359091326 23491871579 2204094149 10686462844 16088831435 21892560660 31512030433 8673973535 6447436214 glycerophosphoethanolamine 3.56E+08 4.05E+08 3.94E+08 5.70E+08 8.83E+08 3.19E+08 4.33E+08 5.47E+08 6.04E+08 3.83E+08 4.96E+08 1.63E+08 1.93E+08 7.67E+07 4.00E+08 1.63E+08 1.63E+08 2.95E+08 1.83E+08 3.55E+08 3.15E+08 3.80E+08 2.79E+08 442874980.5 623082860.5 596385765.7 296501924.8 662931999.8 311571060.2 476047073.7 309683753.6 540942151.6 447753445.4 109253441.1 157198258.3 172887963.5 33370869.82 156176290.1 124579995.9 262066208.8 249989501.8 211640515.5 215049861.1 glycerophosphoinositol 2.54E+08 1.10E+08 2.89E+08 1.99E+08 1.01E+08 1.70E+08 1.73E+08 2.05E+08 1.03E+08 1.44E+08 9.46E+07 1.45E+08 2.15E+08 6.04E+07 3.45E+08 1.27E+08 3.02E+08 1.36E+08 1.59E+08 1.67E+08 2.02E+08 1.75E+08 1.94E+08 138439291.3 130374886.8 123834608.7 166891356.6 62881243.18 274471787.9 85113508.7 184933500.8 151090272.8 114128794.3 93169120.27 163491851.6 99093034.28 44370413.03 450615543.6 129918137.8 89611737.54 63245851.91 127211816.2 285570761.2 glycerophospho-N-palmitoyl ethanolamine 4.06E+08 4.65E+08 3.43E+08 1.22E+09 4.06E+08 6.93E+08 1.20E+08 5.17E+08 1.31E+08 1.30E+08 1.89E+08 1.70E+08 7.08E+08 2.15E+09 1.51E+09 2.12E+09 7.68E+08 1.47E+09 2.72E+08 2.77E+08 4.39E+08 4.53E+08 4.67E+08 254057412.9 282625893.2 309000912.1 310547407.9 426987430.4 176948123.8 195549149 191680561.6 241269566.9 171497475 79774648.45 58635463.26 115386474.4 5078445893 1690806017 107376277.4 273333290.4 256314706 434442440.1 435697360.7 glycine 2.31E+07 2.17E+07 1.76E+07 8.29E+06 2.63E+07 2.74E+07 1.40E+07 2.07E+07 2.11E+07 2.07E+07 2.23E+07 1.98E+07 2.53E+07 4.06E+07 2.54E+07 5.14E+07 2.23E+07 2.84E+07 1.85E+07 2.29E+07 2.58E+07 2.47E+07 3.23E+07 14557238.17 16618730.62 14246697.5 14372081.87 21848934.32 25296347.53 15610321.14 19697282.54 30887414.89 25603761.87 7715190.112 12750134.18 10431446.8 44180964.74 42920784.1 21231066.4 28104405.59 14850811.68 38834373.3 34368055.91 glycocholate 4.46E+06 7.45E+06 5.40E+06 1.19E+05 1.08E+06 5.58E+05 1.08E+05 3.39E+05 1.40E+06 4.96E+05 8.60E+05 2.29E+06 9.56E+06 8.20E+06 1.55E+05 4.16E+06 1.06E+03 4.89E+05 3.71E+05 4.61E+05 3.45E+06 4.80E+06 6.92E+06 5960049.194 9107711.84 9061640.249 988.7667309 1364.218301 352534.0247 202419.0906 137653.1569 1849917.343 794182.5315 1918449.231 2598424.42 1904423.364 12622987.67 2769862.23 233872.9927 642430.5099 164301.5647 7556048.641 8056305.544 glycodeoxycholate 5.73E+06 8.08E+06 5.77E+06 3.73E+05 5.28E+05 1.04E+05 1.51E+05 4.04E+05 7.94E+05 4.52E+05 5.92E+05 5.33E+06 2.13E+07 2.66E+07 8.16E+05 2.80E+07 7.51E+04 8.25E+05 1.51E+05 6.12E+05 1.49E+07 1.61E+07 2.63E+07 4208806.747 5675214.994 4524110.333 988.7667309 171514.0642 195346.2658 124288.2522 58746.42578 1732918.076 759701.0455 1301590.979 2894030.28 1860869.324 95605831.92 16436229.13 143783.7919 1551188.177 461142.0776 23358656.53 23444080.81 Glycyl-Aspartate 1.04E+07 4.42E+06 3.95E+06 1.43E+06 1.74E+06 4.24E+06 1.94E+06 2.39E+06 2.80E+06 1.57E+06 2.31E+06 4.87E+06 2.43E+06 1.50E+07 1.47E+06 3.70E+06 1.33E+06 1.56E+06 2.44E+06 4.32E+06 4.88E+06 9.15E+06 3.06E+06 3504353.895 3580525.03 3175435.761 1270937.632 1264034.137 984743.7554 1946527.386 2028520.922 1654635.784 2073177.723 647988.0788 583401.3131 669550.4445 4437998.884 1911550.624 881865.6942 3481625.541 1611099.279 5545020.692 5156092.268 GTP 1.05E+07 6.26E+06 6.42E+06 8.60E+05 4.27E+06 2.51E+06 3.38E+06 2.00E+06 1.19E+07 4.42E+06 7.36E+06 2.83E+07 1.42E+06 5.19E+05 3.38E+04 4.71E+03 8.70E+05 7.81E+05 2.92E+06 4.64E+05 1.45E+06 2.34E+05 8.77E+05 7466537.1 13009296.34 3816158.791 996530.5233 1015887.081 894237.7932 2560443.497 1090452.394 1897422.594 4531629.397 2693600.311 3407121.451 4074054.207 13669.89865 1086043.562 409809.1974 815002.7445 1854122.428 201358.0613 41904.12845 guanidinoacetate 8.50E+07 1.71E+08 5.21E+07 1.41E+08 8.09E+08 1.85E+08 1.05E+09 1.05E+09 1.32E+09 3.61E+08 1.35E+09 8.93E+07 1.37E+08 1.63E+08 9.63E+08 3.85E+08 1.01E+08 2.28E+08 1.68E+08 1.84E+08 2.33E+08 2.47E+08 2.31E+08 528251574.1 478775008.9 431583406.3 401577881.5 1145898221 486347347.8 1857873118 497150764.7 1007037048 1270934146 36124312.52 27356789.63 23946492.56 239335823.3 255777466 252991508 525614217.2 254821477 355115833.5 305887266.8 guanidinosuccinate 1.64E+08 1.32E+08 1.02E+08 3.49E+07 4.79E+07 4.58E+07 3.91E+07 4.69E+07 4.48E+07 2.82E+07 3.96E+07 2.81E+07 8.77E+07 7.93E+07 1.21E+07 2.85E+07 4.23E+06 3.90E+06 4.38E+06 6.50E+06 2.09E+07 1.92E+07 2.18E+07 169102319.3 166716172.5 184898272 54739852.83 59355623.11 38815883.65 51081248.95 44379503.84 35239088.08 41106087.63 1997400.576 3280632.285 2322444.656 14389091.02 10734488.75 3782570.334 14407780.88 2784788.762 24476517.23 20839177.23 guanine 5.46E+07 2.07E+07 2.16E+07 6.43E+06 3.87E+06 4.80E+07 1.48E+07 2.41E+07 8.76E+06 3.55E+07 9.34E+06 1.55E+07 6.03E+07 3.35E+07 3.66E+07 9.05E+06 3.20E+07 2.45E+07 5.86E+07 7.72E+07 9.69E+07 1.22E+08 5.92E+07 20869786.49 18271710.59 14606343.65 31269316.85 4965935.394 49986219.34 27349175.61 85689643.89 27752416.28 43146275.94 20168113.34 41766747.37 28010809.51 2457025.865 19599908.17 36563999.28 55247931.46 49348878.1 23561285.29 10817967.37 heptadecanoate 5.40E+07 1.43E+08 6.17E+07 2.55E+07 5.52E+07 4.80E+07 3.09E+07 8.28E+07 6.28E+06 6.09E+06 1.17E+07 8.02E+07 6.09E+07 2.06E+08 3.36E+07 1.13E+08 7.87E+07 9.80E+07 4.93E+07 8.75E+07 3.03E+07 2.53E+07 5.26E+07 31689711.14 35994234.89 32819459.55 28575845.38 73852347.64 31123556.29 39428142.29 33300058.77 18793009.31 9505634.37 15177295.81 14223644 23621530.73 206713409.8 102123361.8 16348833.51 67885965.93 29126440.78 59622734.71 42730562.94 hexadecanoylcarnitine 4.94E+08 5.03E+08 8.16E+08 4.08E+08 3.60E+08 2.28E+08 3.28E+08 3.53E+08 1.16E+08 5.70E+08 4.13E+08 7.50E+08 4.50E+08 3.91E+08 3.05E+07 3.22E+08 1.87E+08 1.94E+07 1.16E+08 1.20E+08 8.09E+08 4.79E+08 3.77E+08 992919177.5 1107334606 1099251008 1273941063 2111446135 1739811778 1012368760 1568009112 1125550614 597058797.7 543707350.4 987430728.6 914782259.8 146633972.6 1947102856 1015609188 930814853.8 159148982 2497084290 1485283221 hexanoate 7.34E+06 7.10E+06 7.26E+06 2.36E+06 5.19E+06 8.04E+06 5.94E+06 7.94E+06 4.33E+06 6.17E+06 4.41E+06 5.51E+06 8.82E+06 1.24E+07 8.07E+06 1.62E+07 3.95E+06 4.58E+06 4.30E+06 3.97E+06 1.28E+07 1.11E+07 1.07E+07 5974537.222 5780273.848 6144307.843 3129041.442 3384711.569 6084272.744 2693789.925 5351619.443 6821343.708 5623978.145 3849612.687 4149926.427 4098120.323 12868729.93 8148585.128 3932818.459 6362643.874 5515432.934 19786533.59 16251461.7 hexanoylcarnitine 7.35E+07 1.03E+08 1.09E+08 4.33E+07 4.50E+07 6.59E+07 7.52E+07 7.81E+07 4.56E+07 1.41E+08 9.04E+07 3.19E+07 3.32E+07 2.54E+07 3.96E+07 2.36E+07 5.50E+07 2.37E+07 3.92E+07 4.12E+07 6.18E+07 4.78E+07 6.25E+07 65034902.81 77043366.15 95046290.9 139208734.3 303615444 121675053.7 120636066.4 178603314.2 149815367.9 133151791.8 32751975.51 64035766.14 52554613.96 9908583.329 91876011.38 50675008.1 61046183.26 39368463.01 20233405.16 23767180.64 hexosamine phosphate 1.50E+06 2.18E+06 1.03E+06 3.04E+06 4.51E+06 4.47E+06 3.15E+06 4.85E+06 6.07E+06 2.25E+06 4.59E+06 4.78E+06 4.32E+06 5.16E+06 5.85E+06 3.82E+06 2.69E+06 1.20E+07 4.36E+06 9.74E+06 1.43E+06 1.68E+06 2.72E+06 988253.4185 1199896.891 624852.9781 163103.6029 1408587.812 1408207.446 1494211.465 943805.8726 1969324.821 2989574.999 588751.9749 290796.3755 685906.1042 2567338.71 6859051.637 1432676.777 4879365.918 5348324.738 930526.4297 1152430.012 hippurate 3.46E+09 4.84E+09 2.91E+09 2.32E+08 1.17E+09 3.01E+08 4.52E+07 2.24E+08 8.90E+07 5.36E+07 1.05E+08 1.02E+08 2.04E+08 4.75E+08 1.80E+07 5.12E+07 1.39E+07 1.12E+07 2.07E+07 4.20E+07 1.29E+07 1.51E+07 1.66E+07 4333371103 5794491786 7124140541 970996032.4 2382251275 495475213 368161069.2 349116278.5 91980149.25 97727842.37 18991240.92 28564042.4 15717096.2 71144105.4 47174112.63 18441619.85 558205909.4 59530828.24 17118490.96 15034978.83 histidine 4.42E+07 4.05E+07 3.93E+07 1.62E+07 3.47E+07 4.14E+07 3.32E+07 8.71E+07 2.37E+07 2.07E+07 1.86E+07 3.87E+07 4.60E+07 5.59E+07 2.96E+07 6.52E+07 1.64E+07 2.81E+07 4.29E+07 2.66E+07 6.36E+07 6.20E+07 8.50E+07 40795544.73 48241605.21 51728438.02 24283080.72 40657930.59 51406027.52 38720497.66 55525276.13 34303861.39 41993832.81 22549662.43 23355325.76 23672690.83 55760733.75 39465537.12 75421149.35 51941942.55 25041920.15 85222773.98 105132027.6 homoarginine 3.94E+07 4.03E+07 3.87E+07 3.18E+07 8.77E+07 8.60E+07 6.22E+07 1.51E+08 9.80E+07 9.97E+07 1.13E+08 5.45E+07 8.53E+07 9.46E+07 5.22E+07 1.50E+08 5.32E+07 1.77E+08 1.21E+08 1.27E+08 1.35E+08 1.35E+08 1.39E+08 34397567.51 25153257.89 27595249.62 36664170.57 51753672.19 69492159.9 76082078.37 78041828.77 97264127.76 106789765 144788995.1 47732292.96 64755648.58 107516391.3 83681386.62 180882120.8 127116635.6 111934349.1 141293661.8 153479753.5 homocitrulline 5.49E+07 2.73E+07 2.57E+07 1.47E+07 4.18E+07 3.73E+07 1.31E+07 2.78E+07 4.39E+07 3.32E+07 4.84E+07 1.36E+07 3.01E+07 4.10E+07 1.10E+07 3.51E+07 5.74E+06 8.60E+06 9.93E+06 6.20E+06 1.73E+07 1.98E+07 2.55E+07 33512044.28 34625005.76 39867943.9 27788004.14 44277330.2 40332336.35 22788006.84 27646348.41 47748761.24 57475325.86 2622743.168 4476014.951 4220299.997 35150477.33 14834814.35 11162998.06 9055599.249 3109562.724 35227251.79 29687941.15 homocysteine 6.13E+06 5.93E+06 5.54E+06 3.90E+06 1.13E+07 9.71E+06 4.48E+06 6.65E+06 7.61E+06 5.44E+06 7.07E+06 5.42E+06 9.27E+06 9.48E+06 5.57E+06 1.51E+07 5.45E+06 7.76E+06 7.42E+06 5.08E+06 1.03E+07 1.09E+07 1.23E+07 3487356.552 3609480.151 3590547.89 2712060.729 4574872.776 8403775.894 3850232.466 4497351.5 8377519.164 6709385.558 1491380.267 2751836.983 2453583.454 18084414.87 11347379.15 5910034.786 5631102.197 3083243.336 13579860.92 12742254.01 hydroxybutyrylcarnitine 1.04E+09 4.50E+08 1.17E+09 6.08E+08 4.13E+08 8.13E+08 1.14E+09 6.53E+08 5.89E+08 1.11E+09 8.90E+08 6.45E+08 3.15E+08 1.43E+08 4.39E+08 1.15E+08 3.42E+08 6.11E+08 5.86E+08 8.29E+08 3.68E+08 4.22E+08 3.27E+08 2650229521 2094912858 2011723858 2020569879 1227879637 1243164580 3725965765 3766989127 1014493129 1216680892 1597073654 1043083340 1377498108 44284919.64 374040173.2 1159654285 790743051.6 1190524640 138809160.2 185611801 hydroxydodecanoylcarnitine 1.92E+07 1.05E+07 3.57E+07 1.33E+07 1.70E+07 1.88E+07 4.00E+07 1.76E+07 7.70E+06 2.33E+07 1.70E+07 4.40E+06 4.18E+06 3.02E+06 7.77E+06 2.04E+06 5.51E+06 6.14E+06 6.19E+06 1.14E+07 3.89E+06 6.08E+06 5.36E+06 42504060.28 48441472.65 27858863.41 16764337 7995993.597 10512465.57 20966184.54 39637663.01 18574386.16 15491048.99 11957147.18 10864826.24 15610768.13 1903345.886 3015072.111 21024279.57 8496878.598 13148890.01 8984206.548 9166129.03 hydroxyhexadecanoate 3.20E+07 3.41E+07 2.20E+07 1.95E+07 2.65E+07 3.87E+07 2.20E+07 4.15E+07 8.88E+06 7.06E+06 9.61E+06 6.87E+07 8.70E+07 1.24E+08 4.50E+07 1.37E+08 2.25E+07 7.33E+07 4.21E+07 6.00E+07 9.95E+07 1.10E+08 1.80E+08 18256942.12 14699605.62 12441792.74 11150805.93 18723721.87 19862557.31 20741558.87 28186718.63 14411911.85 9865227.532 11049940.75 18450050.73 10160067.72 271783857.6 124843614 29606285.69 52061553.73 33808012.09 208174935.9 136289562.7 hydroxyhexadecanoylcarnitine 2.48E+07 1.05E+07 5.07E+07 1.69E+07 1.98E+07 2.84E+07 4.14E+07 2.34E+07 6.78E+06 3.32E+07 2.24E+07 6.22E+06 5.14E+06 5.17E+06 9.55E+06 3.30E+06 4.42E+06 9.19E+06 9.15E+06 2.45E+07 6.95E+06 7.67E+06 7.28E+06 186596739.7 204688898.6 121675679.4 59159400.06 31127610.68 69991335.7 71572742.79 161364567.9 42935385.41 32207654.26 56395976.51 43173046.76 74421015.86 5330459.223 13583422.55 91383135.75 36817320.45 61269652.19 31682298.48 33901115.15 hydroxyoctanoate 9.90E+05 1.77E+06 1.19E+06 6.53E+05 3.06E+06 1.52E+06 1.14E+06 2.72E+06 1.84E+06 2.18E+06 4.42E+06 1.26E+06 1.74E+06 4.03E+06 1.52E+06 4.77E+06 1.35E+06 1.38E+06 1.88E+06 1.99E+06 4.70E+06 5.28E+06 4.94E+06 2689493.653 3049573.231 2908486.111 1619748.588 13681441.68 1862308.484 3414327.974 2788219.016 8315944.623 6874704.882 368826.8 782948.2191 1142999.071 4700285.798 3720084.897 3620758.235 3539103.128 1531496.77 5778767.434 4787886.764 hydroxystearate 2.05E+07 2.57E+07 1.35E+07 1.68E+07 3.41E+07 2.96E+07 1.58E+07 5.69E+07 4.15E+06 4.23E+06 5.27E+06 3.00E+07 2.74E+07 4.66E+07 2.47E+07 4.28E+07 1.68E+07 5.61E+07 2.99E+07 4.40E+07 2.16E+07 2.14E+07 3.74E+07 13295813.14 11248787.2 11112848.63 10337362.19 13925265.32 20955654.95 19925481.75 23457019.49 7112733.957 4744977.248 5524414.354 5980481.893 6275145.997 57483705.55 34636241.81 11399221.13 38093528.77 26785082.82 54693420.98 39514715.42 hydroxytryptophan 1.81E+07 5.36E+06 5.55E+06 5.70E+06 7.21E+06 1.26E+07 6.96E+06 4.94E+06 1.15E+07 9.02E+06 1.29E+07 1.63E+07 3.13E+07 3.60E+07 1.52E+07 3.55E+07 1.17E+07 6.65E+06 9.74E+06 1.38E+07 3.49E+07 4.26E+07 1.38E+07 19008078.55 8460715.914 7568962.723 9961182.04 18370577.26 5347695.707 15910274.01 10769249.57 6593066.426 13677719.91 11580299.07 4162816.566 3824623.561 13418465.66 6289317.416 14583098.19 28280325.2 11148144.47 76754811.26 53022002.59 Hypotaurine 1.53E+07 2.69E+07 1.50E+07 1.31E+07 3.77E+06 2.95E+07 1.96E+07 5.96E+06 1.28E+07 1.65E+07 1.79E+06 9.72E+06 2.16E+07 1.09E+06 2.01E+07 2.64E+06 2.54E+06 1.00E+07 7.39E+06 1.26E+07 1.49E+07 7.38E+06 2.13E+07 5216101.616 8219047.137 8086745.694 17706874.21 5922632.709 33756374.74 2266800.273 9855663.571 13408769.47 10097177.29 7519081.112 15495684.15 17726982.64 1191720.42 6412647.631 12756362.06 21191143.46 26630686.76 2372256.683 6463471.898 hypoxanthine 4.55E+08 2.28E+08 2.59E+08 2.09E+08 6.21E+08 7.64E+08 1.43E+08 2.33E+08 6.65E+08 1.28E+09 1.45E+09 3.01E+08 3.96E+08 2.08E+08 3.65E+08 3.12E+08 1.23E+09 9.23E+08 9.30E+08 7.42E+08 7.83E+08 8.05E+08 6.79E+08 2533384315 2388312711 2280491281 1328445641 1703899286 2300984714 1951021771 1453236797 2512294685 2431875664 1753224850 1511358154 1723473746 153750652.4 558649896.1 2020185724 1286401012 739122492.8 747861560.5 573928332.6 imidazolelactate 7.47E+07 8.38E+07 4.57E+07 1.15E+08 1.50E+08 5.84E+07 8.65E+07 2.54E+08 1.28E+08 7.75E+07 1.34E+08 1.62E+08 8.37E+07 5.94E+07 8.78E+07 1.35E+08 2.62E+08 3.81E+07 4.87E+07 5.30E+07 3.80E+07 5.02E+07 3.24E+07 113670489.2 120021409.4 125310570.1 173324543 350064074.9 65712235.52 288992728.5 235032653.3 117073032.2 145005687.1 156705349 82711129.21 132876030.1 126674470 152700942.3 88493560.4 92534403.21 101274667.6 46572253.17 44195180.77 indole-3-acetate 3.56E+06 6.99E+06 3.46E+06 7.30E+06 1.02E+07 3.72E+06 1.37E+06 6.26E+06 3.00E+06 1.54E+06 2.68E+06 3.15E+06 7.08E+06 1.45E+07 1.34E+07 3.87E+07 7.84E+06 1.48E+06 2.79E+06 1.64E+06 6.62E+06 5.74E+06 6.81E+06 4032979.827 4906151.467 5288802.684 14023729.58 32973849.79 5093566.143 1590837.14 1638279.003 3364052.479 2303227.001 538562.7617 1372232.671 876088.3409 51983911.71 36066788.25 2069370.818 5504004.012 842277.886 4854819.395 6592095.363 Indole-3-acrylate 3.40E+08 4.33E+08 3.47E+08 1.34E+08 3.05E+08 2.67E+08 1.36E+08 2.64E+08 1.81E+08 1.83E+08 2.88E+08 3.77E+08 4.00E+08 9.22E+08 2.37E+08 5.38E+08 2.22E+08 1.32E+08 3.15E+08 3.03E+08 6.96E+08 9.36E+08 9.87E+08 374040701.7 442557512.4 479722639.8 226144789.4 478136140 401432846.6 257666954.2 281404565.3 418231084.4 345300695.8 227757506.6 286877951 245835243.3 587965715.1 557751264.5 437259832.3 779550960.3 284498852.8 1171611905 981860495.3 Indole-3-lactate 5.15E+06 7.37E+06 5.27E+06 3.37E+06 7.75E+06 4.21E+06 1.99E+06 3.37E+06 3.26E+06 1.81E+06 2.77E+06 1.26E+07 1.03E+07 1.99E+07 4.85E+06 1.67E+07 3.37E+06 1.95E+06 3.82E+06 4.10E+06 1.43E+07 1.66E+07 1.82E+07 4572228.324 4977143.338 5466239.148 8732353.344 10383629.07 4742573.167 2159539.414 2419306.528 4518750.863 2352990.23 1077439.468 2640907.917 1401531.73 25492633.82 17171187.27 3183920.598 9875710.38 1832692.827 28468278.14 33024546.29 indole-3-pyruvate 1.60E+06 1.42E+06 2.14E+06 5.45E+05 3.53E+05 1.34E+06 1.79E+05 5.37E+04 1.61E+06 9.73E+04 3.22E+05 9.76E+06 8.57E+06 8.17E+06 1.45E+06 9.38E+06 3.06E+05 1.12E+06 1.44E+06 1.29E+06 5.90E+06 5.46E+06 8.85E+06 16527.76579 2841.636854 2479.492885 351761.1838 1364.218301 601600.7801 1007.382486 1182.352355 398207.772 177238.1056 130215.3497 512642.1154 5736.489364 18168468.57 5920857.627 567152.3526 2014814.401 612727.7578 10694125.95 18632064.84 indoxyl sulfate 9.85E+07 4.51E+07 4.96E+07 1.48E+08 3.30E+08 1.16E+08 3.60E+07 8.17E+07 1.05E+08 6.18E+07 6.55E+07 3.07E+07 1.13E+08 1.31E+08 6.30E+07 1.69E+08 2.41E+07 5.22E+07 4.51E+07 3.32E+07 8.94E+07 7.27E+07 5.85E+07 57276009.21 59965507.52 68507769.85 207157287.8 148082299.4 162070688.2 124338137.1 126508014.8 56331601.88 55249434.18 3238418.707 6498895.144 3036683.443 239448775.3 84649803.45 34734080.01 113457328.9 25828427.95 63891101.82 84373115.6 inositol 6.22E+08 7.97E+08 8.16E+08 2.42E+09 9.06E+08 1.87E+09 2.86E+09 1.68E+09 1.50E+09 2.25E+09 1.18E+09 7.40E+08 1.36E+09 9.77E+08 1.36E+09 8.26E+08 6.13E+08 4.54E+08 5.36E+08 8.18E+08 1.13E+09 4.39E+08 9.95E+08 544852834 489732135.3 486174799.8 2083681157 686539123.5 2075126304 766166757.6 2846092711 1522268448 1385735468 383213750.6 389801108.8 204129367.8 395274252.4 1104501844 397458359.5 899409542 479227584 491727693.6 869592376.2 isoleucine 5.08E+08 5.39E+08 3.78E+08 9.51E+07 4.24E+08 3.92E+08 1.21E+08 3.58E+08 3.59E+08 2.22E+08 3.87E+08 9.17E+08 1.19E+09 1.62E+09 5.14E+08 1.43E+09 3.26E+08 3.57E+08 2.88E+08 3.11E+08 1.39E+09 1.69E+09 1.88E+09 719157227.7 779090828.6 805397344.5 142677357.8 497780130.7 352017060.3 420216998 227680261 554652459.1 482275135.4 452751801.9 457469587.5 463048776 1836897715 1075890653 480701072.2 636076471.4 247860531.5 2723133504 2486131762 ketoisoleucine 4.33E+07 5.07E+07 4.06E+07 1.76E+07 3.89E+07 2.96E+07 1.66E+07 2.00E+07 1.66E+07 5.40E+06 1.29E+07 6.90E+07 6.42E+07 1.25E+08 4.20E+07 1.50E+08 2.95E+07 1.70E+07 2.56E+07 2.28E+07 9.66E+07 1.42E+08 1.19E+08 2245563.132 2780022.577 2372188.511 3389626.705 4554773.583 2495186.999 1759829.439 3610004.587 10001178.29 1650936.411 724108.3216 1721163.19 1363586.358 140378163.4 109386576 4256292.55 17428393.54 5311867.634 182558973.5 206341065.4 ketoleucine 1.00E+08 1.04E+08 8.14E+07 2.92E+07 5.07E+07 4.28E+07 2.73E+07 2.52E+07 2.31E+07 8.26E+06 1.82E+07 1.51E+08 1.41E+08 2.96E+08 6.92E+07 2.84E+08 5.78E+07 3.36E+07 4.98E+07 4.06E+07 2.03E+08 3.03E+08 2.57E+08 3861058.24 4934584.232 4134565.815 5443316.64 6034935.465 4068225.889 3278557.928 6051130.591 17666026.99 2605121.701 1378389.276 3017337.351 2339266.533 252448935.4 190689272.8 8004068.909 28991857.88 8672469.855 412395184 450761596.7 ketovaline 3.31E+07 1.60E+07 1.51E+07 5.94E+06 1.10E+07 1.27E+07 1.51E+07 9.63E+06 2.04E+07 8.04E+06 1.16E+07 3.78E+07 2.81E+07 5.07E+07 1.18E+07 4.61E+07 1.76E+07 1.09E+07 8.62E+06 1.07E+07 2.76E+07 4.18E+07 3.21E+07 762513.1787 2841.636854 2479.492885 1463480.501 412101.712 1954794.45 3184146.81 5962075.49 6001220.165 6543927.586 574062.4395 624657.1247 1545.795302 64712010.12 15005482.33 2351130.177 7363542.344 4367990.549 73812458.63 113852573.7 kynurenate 1.43E+07 1.19E+07 1.04E+07 4.16E+06 6.92E+06 1.77E+06 1.28E+06 3.96E+06 2.36E+06 1.27E+06 2.09E+06 5.95E+05 2.53E+06 2.72E+06 5.21E+05 1.96E+06 7.44E+05 1.61E+05 1.11E+05 4.70E+05 8.71E+05 6.82E+05 1.27E+06 14372737.06 20271356.73 23717329.2 10426599.1 15137699.61 3056367.449 6234753.352 6490559.139 1811648.929 1855010.555 42287.97222 269390.7624 96138.68339 1717506.724 273694.9861 51460.56905 3741518.831 577406.2403 2239883.354 1324474.275 kynurenine 1.54E+08 7.19E+07 8.83E+07 7.31E+06 4.57E+07 5.72E+07 1.20E+07 2.30E+07 3.42E+07 1.42E+07 2.42E+07 6.69E+07 2.66E+08 3.19E+08 2.73E+08 4.19E+08 5.56E+07 1.33E+08 1.68E+08 1.05E+08 4.07E+08 2.03E+08 2.78E+08 32047145.49 29263627.81 30494430.8 7528271.128 33426086.6 35867374.03 16125888.71 16895355.38 31316801.48 25299612.89 32230805.6 50932696.56 60304355.5 149817768.8 124254186.3 90895860.46 150401743 55237670.04 264996122.1 280603348.6 Laudanosine 2.09E+03 2.41E+03 2.38E+03 7.69E+02 1.20E+09 7.95E+08 1.48E+03 2.26E+03 6.71E+08 5.17E+08 7.68E+08 2.02E+03 3.35E+03 3.79E+03 2.37E+03 4.71E+03 1.06E+03 1.82E+08 7.63E+08 1.63E+03 4.79E+08 3.57E+08 3.75E+08 2027.381738 2841.636854 2479.492885 988.7667309 1364.218301 741204484.7 1007.382486 1182.352355 735257591.1 661302454.8 1076.376329 1412.617754 1545.795302 4451.833386 2585.50794 385773039.4 1940.948452 988.4230609 156560424.3 213874233.9 laurate 3.39E+07 8.82E+07 3.38E+07 4.07E+07 7.90E+07 3.57E+07 4.37E+07 1.18E+08 7.12E+06 7.18E+06 1.61E+07 3.47E+07 3.84E+07 1.44E+08 9.08E+07 7.63E+07 4.46E+07 1.08E+08 6.76E+07 1.06E+08 4.89E+07 4.11E+07 5.78E+07 19341523.59 22971057.64 19275606.75 13294068.63 52346237.9 35398376.4 31454195.94 62585489.85 32312454.8 15853319.99 6985241.266 7157035.338 11813385.42 228657063.8 75854831.36 14585185.93 121406767.6 49456927.84 61698807.05 92386949.13 lauroylcarnitine 2.49E+07 3.26E+07 3.99E+07 1.68E+07 4.18E+07 2.44E+07 4.23E+07 4.34E+07 1.68E+07 9.29E+07 8.09E+07 2.57E+07 1.74E+07 4.23E+07 1.56E+07 1.41E+07 1.60E+07 3.54E+06 1.99E+07 1.95E+07 2.55E+07 3.15E+07 2.54E+07 57104911.23 65899097.56 60093427.14 89492648.83 177104686.3 70656894.77 88957215.91 168428487.3 92339256.38 74124766.11 14711351.51 26011602.56 27934332.68 26751525.64 83387336.92 51298517.56 62740289.04 31433561.4 54384326.59 41502233.51 L-cartinine 1.60E+10 1.63E+10 2.12E+10 2.35E+10 2.83E+10 2.27E+10 2.79E+10 1.98E+10 2.83E+10 2.21E+10 2.35E+10 4.32E+10 3.45E+10 1.37E+10 4.66E+10 1.94E+10 5.19E+10 4.03E+10 4.65E+10 3.00E+10 1.59E+10 1.67E+10 1.64E+10 12377008919 12352389970 12792449278 26872794387 17682604453 25476980464 23282148598 16323462179 17602692928 19723982861 38441161961 42050091713 41824193605 14519853565 25052862107 27465314825 18930372500 35858273639 11037362702 13120808173 leucine 1.33E+09 1.10E+09 9.99E+08 3.33E+08 9.20E+08 1.03E+09 3.58E+08 6.46E+08 5.40E+08 4.52E+08 6.18E+08 1.71E+09 2.35E+09 3.68E+09 1.23E+09 2.65E+09 8.28E+08 1.24E+09 1.17E+09 1.02E+09 2.59E+09 3.12E+09 3.44E+09 1637131882 1807217503 1768520655 425885273.6 1090558156 1046009337 850557373.6 587377210.2 1104299156 860010136.7 887639671.3 935838516.8 884093467.7 3742085662 2206675506 1332681726 2034569960 783366180.1 5058958107 4377135534 Lidocaine 2.35E+06 2.41E+03 2.82E+06 1.88E+08 6.49E+08 3.94E+08 2.11E+08 7.28E+08 1.40E+08 9.97E+07 1.79E+08 2.02E+03 3.35E+03 3.79E+03 3.01E+08 2.59E+08 2.60E+08 1.68E+08 8.31E+08 2.79E+08 2.05E+08 1.87E+08 1.09E+08 141481.8641 80214.932 3870432.449 197648538.8 426322581.2 346756341.9 486001671.1 492584755.1 169556894 146365350.6 1076.376329 1412.617754 1545.795302 22466074.29 363246517.7 287773194.6 555076734.9 217116409.3 89822600.14 134282078.6 linoleate 2.33E+08 8.24E+08 2.41E+08 2.18E+08 9.84E+08 3.23E+08 4.41E+08 1.24E+09 1.38E+08 9.26E+07 1.57E+08 2.86E+08 2.70E+08 3.99E+08 4.56E+08 4.27E+08 3.44E+08 6.96E+08 2.58E+08 8.22E+08 3.66E+08 3.52E+08 1.14E+09 182007719.5 142098721.5 165379710.3 162108240 565343803.9 313344326.9 624694378.9 385310365.7 231610832.5 165968256.7 36147271.83 55271148.05 77424967.92 1190648189 387734824.1 138875344.2 1024941453 498047085.1 661585452.3 293697007.8 linolenate 4.05E+07 9.62E+07 4.24E+07 3.80E+07 1.18E+08 6.71E+07 2.15E+07 1.37E+08 1.41E+07 1.34E+07 1.98E+07 9.73E+07 2.61E+07 5.03E+07 3.63E+07 3.18E+07 8.29E+07 1.65E+08 8.39E+07 9.32E+07 3.66E+07 6.13E+07 2.04E+08 40553732.74 36885272.35 36875227.73 18991682.1 102443330.4 42397267.61 62511309.01 42910665.15 36706348.62 28455770.96 17292869.19 13070130.77 27113491.43 172506777.1 80642038.98 25694997.56 117375415 76651715.68 103815878.5 66411598.77 Linoleylcarnitine 8.88E+07 7.62E+07 1.56E+08 8.58E+07 1.36E+08 7.38E+07 1.56E+08 1.35E+08 5.54E+07 3.29E+08 2.93E+08 7.31E+07 8.45E+07 1.58E+08 6.98E+06 8.82E+07 1.42E+08 4.10E+06 3.95E+07 4.56E+07 2.75E+08 1.14E+08 8.57E+07 200036654 187481448.6 216423073.5 599081530.8 1310939906 1007952813 683764925.8 1149078520 658599322.2 452586275.5 199375366.4 329383879 305590505.3 84419910.73 1088003686 685686405.9 660574907.8 80624348.21 372210171.2 262692291.8 lumichrome 1.66E+07 6.34E+07 1.48E+07 2.57E+06 1.57E+08 2.59E+07 6.03E+07 2.13E+08 3.91E+07 3.03E+07 6.06E+07 1.49E+07 6.69E+06 7.40E+05 1.69E+06 9.53E+05 1.15E+07 7.49E+06 1.72E+07 1.76E+07 6.09E+06 5.42E+06 9.85E+06 86804685.07 96428809.35 83887971.01 25634503.78 146910762.1 41604272 173349150.6 103665312.6 127804614.8 66746419.67 13098024.38 30585083.13 32883637.5 853162.9871 24814236.17 21823598.21 34297133.77 17736819.4 1458047.145 2492773.935 lysine 6.60E+08 3.80E+08 3.78E+08 2.78E+08 3.60E+08 6.05E+08 3.20E+08 3.13E+08 3.62E+08 3.81E+08 4.08E+08 8.60E+08 9.97E+08 1.43E+09 6.09E+08 1.40E+09 4.05E+08 5.98E+08 7.56E+08 6.65E+08 9.39E+08 1.13E+09 7.76E+08 842022497.3 481120242.6 506336362.1 365288714.8 361384944.4 400021447.5 522659645.5 409681266.6 355628787.8 493056433.2 975121989.1 295279799.9 314820843.5 752920552.1 542202654 1068646994 1152503427 708090447.1 1593731658 1627239418 malonylcarnitine 4.81E+07 7.34E+07 5.37E+07 2.56E+07 1.15E+08 4.81E+07 1.40E+08 1.01E+08 1.23E+08 8.21E+07 1.19E+08 1.43E+07 2.25E+07 1.35E+07 1.17E+07 9.95E+06 3.96E+07 1.63E+07 2.44E+07 1.70E+07 1.25E+07 9.05E+06 1.51E+07 127060309 134281205.6 122011442.3 161172785.8 118593102.5 83140980.9 137511521.9 100190305.4 81617863.52 107181172.2 33828048.61 37167153.49 42712725.57 7621878.324 10404201.86 21911057.43 28732940.14 27270818.81 9043342.888 9586186.761 methionine 3.31E+08 2.87E+08 2.50E+08 1.39E+08 2.62E+08 2.29E+08 1.57E+08 2.06E+08 1.74E+08 1.46E+08 1.99E+08 4.40E+08 4.58E+08 6.95E+08 2.65E+08 6.68E+08 2.59E+08 2.74E+08 2.62E+08 2.15E+08 4.87E+08 6.18E+08 6.87E+08 454984671 474308943.4 490714813.7 145794203.6 370538131.5 298368136 243329957.8 170352084.7 363347270.7 300969961.5 67955086.26 148646745 68794345.07 901992934.6 594177622.7 215322905.9 425947756.9 217145005.6 925600717.1 861841658.9 methionine sulfone 1.13E+07 6.56E+06 7.28E+06 5.38E+06 3.62E+06 6.19E+06 4.84E+06 8.19E+06 6.73E+06 6.85E+06 6.79E+06 7.19E+06 1.30E+07 1.12E+07 7.71E+06 1.85E+07 6.73E+06 3.20E+06 3.92E+06 3.62E+06 9.66E+06 7.75E+06 7.96E+06 6518555.244 4763814.265 4485708.568 4092768.741 3187410.077 3669677.384 5832628.63 7130850.545 5466812.718 6073177.03 2780740.953 3298330.534 2693476.093 9009484.662 8769326.142 4966869.462 4941775.114 2579048.116 11077006.79 13906143.85 methionine sulfoxide 1.06E+08 3.66E+07 4.68E+07 2.47E+07 3.79E+07 2.77E+07 1.51E+07 3.28E+07 1.26E+07 8.59E+06 1.02E+07 9.68E+07 3.26E+07 7.03E+07 2.09E+07 5.32E+07 3.02E+07 3.04E+07 2.75E+07 3.50E+07 4.52E+07 3.71E+07 6.47E+07 31607196.98 32306831.43 27907008.52 20212189.16 43247617.24 27283032.63 37110370.22 30713500.48 17819147.79 15052539.02 7007640.131 9840995.387 9089213.825 55166843.72 38744814.74 19648527.24 28983305.35 18798778.44 79654159.28 75551161.19 methylhistidine 1.66E+09 9.02E+08 1.03E+09 6.56E+08 8.05E+08 9.87E+08 5.70E+08 1.25E+09 3.23E+09 3.05E+09 3.23E+09 6.81E+08 1.47E+09 1.56E+09 7.03E+08 2.27E+09 6.07E+08 3.30E+08 4.03E+08 4.79E+08 3.51E+09 3.42E+09 2.55E+09 939077536.4 842019594.1 941647550.2 710755483.7 497685406 591348404.6 1318226808 1663854008 2618719570 3273009654 331051345.1 313266560.6 270803097.4 1683672456 1042754491 406569936 635951358.8 317176937.5 4600004108 4740091428 methylthioadenosine 8.01E+07 1.87E+08 1.28E+08 4.24E+07 2.32E+08 1.16E+08 8.62E+07 3.44E+08 8.79E+07 7.35E+07 1.00E+08 4.51E+07 3.53E+07 5.69E+06 6.77E+07 2.92E+07 5.87E+07 4.48E+07 8.50E+07 6.43E+07 3.47E+07 3.58E+07 6.55E+07 123539757.2 205972284 223361403.8 118489843.2 245104168.8 227536949.1 219069503.4 168324196.6 151703217.8 88797497.63 265753966.1 341706691 327502868 6560059.874 151220077.8 570794609.8 185558568.4 93253257.15 10153967.84 40149365.59 metoclopramide 2.35E+08 9.66E+07 1.39E+08 7.69E+02 1.56E+03 2.30E+03 7.32E+07 3.00E+08 1.60E+03 1.55E+03 1.46E+03 3.89E+07 3.29E+07 2.50E+07 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 2.43E+07 3.50E+03 3.10E+03 4.82E+03 152747838.6 181073896.2 212777308.6 988.7667309 1364.218301 1880.297323 241215701.6 314733599.3 2359.459188 1433.168049 31345311.52 29200720.25 31765509.96 4451.833386 2585.50794 1207.562202 144011851.1 33816660.1 5498.547487 5370.189143 myristate 1.57E+08 5.11E+08 1.80E+08 1.45E+08 4.62E+08 1.53E+08 2.18E+08 5.92E+08 4.02E+07 3.63E+07 7.49E+07 1.44E+08 1.67E+08 8.92E+08 4.50E+08 3.67E+08 2.28E+08 3.56E+08 4.05E+08 5.65E+08 2.05E+08 1.58E+08 1.81E+08 90877543.8 108163310.3 90893066.23 81985326.18 291972728.8 195114020.9 243359659.2 269980740.3 189956990.8 57455581.32 42737988.69 39066049.81 70493344.89 1541347406 410671215.9 44417823.65 496133847.2 315232481.1 228644581.8 517536956.1 myristoylcarnitine 8.66E+07 8.38E+07 1.27E+08 6.69E+07 1.24E+08 5.56E+07 1.17E+08 1.08E+08 3.25E+07 1.90E+08 1.71E+08 7.50E+07 4.87E+07 1.07E+08 1.61E+07 2.61E+07 2.98E+07 3.39E+06 3.68E+07 5.09E+07 6.33E+07 5.71E+07 3.41E+07 227517929.3 244378580.4 246275041 273377292.5 550796450 274447273.9 298691242.8 526941597.2 241415688.1 183158169 70162363.4 134630730.4 128373600.4 20280524.51 316340480.9 221065951.2 244294094.2 42341730.07 159613883.9 99518349.36 N,N-dimethylaniline 7.91E+07 4.38E+07 5.79E+07 3.18E+07 5.31E+07 1.11E+08 7.30E+07 5.59E+07 9.24E+07 6.95E+07 8.11E+07 6.88E+07 1.88E+08 1.87E+08 1.32E+08 2.23E+08 5.33E+07 4.49E+07 6.49E+07 9.42E+07 1.66E+08 1.36E+08 1.15E+08 90916698.55 74077664.39 65548364.25 43409830.08 41271183.76 57362522.31 57632504.42 54321766.86 64866540.76 66991554.71 45114930.75 38739791.03 49986707.18 108127382.9 69967654.75 53882082.67 95962327.43 47485219.19 254399865.7 229154813.4 N,N-dimethylarginine 2.56E+08 2.15E+08 2.49E+08 1.58E+08 3.39E+08 2.59E+08 9.33E+07 3.70E+08 2.22E+08 1.78E+08 1.95E+08 1.31E+08 1.93E+08 2.25E+08 1.85E+08 2.90E+08 1.23E+08 1.78E+08 1.25E+08 1.13E+08 1.70E+08 1.93E+08 2.35E+08 150845799.4 161799755.6 175080918.3 185942631.9 292221606.7 144718955.9 225005737.3 243331462.3 192293607.7 198348388.1 106842706 95035891.02 80121718.17 274711583.9 223614982.7 147673462.8 182993527.5 123976072.8 261385568 256534215.3 N1-methyl-2-pyridone-5-carboxamide 4.20E+07 3.72E+07 4.85E+07 1.48E+07 3.45E+07 3.77E+07 1.64E+07 2.62E+07 3.12E+07 3.41E+07 2.74E+07 2.53E+07 7.43E+07 6.58E+07 1.29E+07 3.74E+07 1.29E+07 2.71E+07 2.64E+07 1.73E+07 6.42E+07 5.31E+07 7.31E+07 26383219.84 29936636.86 30421474.83 9272016.343 10507752.76 32101281.42 20894094.32 32134860.75 44495671.38 29948480.84 17235715.38 28598879.61 23822705.35 45151185.09 25804788.66 23389157.88 20985180.44 11411315.82 68338244.02 81395228.36 N2-acetylornithine 7.33E+06 4.75E+06 4.69E+06 3.91E+06 5.33E+06 1.49E+07 5.90E+06 1.14E+07 2.81E+06 1.38E+06 2.92E+06 6.89E+06 1.38E+07 1.50E+08 1.12E+07 3.39E+07 2.52E+06 2.56E+07 3.15E+07 3.27E+07 5.14E+06 4.67E+06 4.15E+06 6146860.634 7226973.619 6937927.695 2836772.401 3182955.774 4387545.958 7588728.043 3775182.888 3322260.075 3503862.034 34454052.46 6140073.804 15225070.38 152595000.2 11401767.88 10244816.42 10848376.71 10170122.02 10609119.67 8147994.63 N2-gamma-Glutamylglutamine 1.11E+08 2.73E+08 4.92E+07 2.30E+07 5.65E+08 4.76E+08 2.59E+08 5.01E+08 4.38E+08 2.55E+08 3.38E+08 4.31E+08 3.01E+08 1.01E+08 1.66E+08 8.65E+07 5.10E+08 7.81E+08 7.19E+08 9.84E+08 1.25E+08 1.39E+08 1.02E+08 36290121.88 24526713.33 17783506.58 55393061.33 82692810.77 51858893.54 112076568.6 154919747.5 260477723.9 178357496.6 17697013.34 14370497.74 14159705.53 42077477.7 86745914.37 41488962.35 221595456.4 180979277.2 142651637.7 50307224.01 N4-acetylcytidine 7.08E+06 5.49E+06 5.74E+06 4.31E+06 1.89E+07 6.19E+06 6.19E+06 2.60E+07 2.12E+07 1.62E+07 2.48E+07 4.43E+06 1.10E+07 9.65E+06 4.27E+06 9.99E+06 3.94E+06 3.47E+06 4.95E+06 4.51E+06 1.19E+07 1.23E+07 1.18E+07 4061748.548 4172062.861 4882977.916 5009729.375 8079411.984 9477256.085 15871732.93 13043446.86 29165320.22 29955400.28 2965704.479 3112319.819 2555479.236 9537613.582 7994978.437 3315964.394 4362758.215 2181415.148 14671426.64 15218042.38 N6,N6,N6-trimethyllysine 3.25E+08 1.98E+08 2.25E+08 1.65E+08 1.55E+08 1.90E+08 5.99E+07 9.98E+07 1.16E+08 1.17E+08 1.14E+08 1.03E+08 1.38E+08 1.86E+08 6.43E+07 2.04E+08 6.20E+07 8.74E+07 6.01E+07 5.86E+07 1.28E+08 1.72E+08 1.37E+08 201847987.7 194485022.4 230499792.3 216462077.5 325433504.3 82519028.63 138392032.7 148835109.1 116947860.4 132831223.7 50818334.81 30277529.33 26294768.86 198696182.1 126339657.2 58736983.81 79372033.14 54379953 176065216.5 176740670.7 N6-acetyllysine 5.72E+07 4.45E+07 4.29E+07 2.94E+07 3.95E+07 7.89E+07 2.40E+07 7.56E+07 2.59E+07 2.03E+07 2.52E+07 4.16E+07 5.66E+07 3.07E+08 5.29E+07 1.13E+08 2.11E+07 8.22E+07 5.61E+07 8.38E+07 3.48E+07 3.62E+07 4.57E+07 37721066.29 38426037.53 41571982.67 17668044.42 29170654.93 32067152.47 43333636.64 35659434.3 31374824.99 29771813 16415646.77 14170076.51 15521661.94 358716174.5 60605251.4 21312332.51 46766374.39 30871315.61 48520233.69 46341073.89 N6-methyllysine 2.18E+08 1.90E+08 2.06E+08 3.40E+07 9.96E+07 1.22E+08 1.10E+08 1.99E+08 1.60E+08 2.14E+08 1.64E+08 2.37E+08 3.33E+08 3.55E+08 3.37E+07 1.35E+08 6.60E+07 1.45E+08 1.30E+08 1.50E+08 2.00E+08 2.10E+08 1.90E+08 107812675.2 80856712.23 84618706.22 85427240.17 46919380.2 111296187.7 77853615.07 108383897.5 167066075.3 171082491.5 395634240.3 143727111.2 175259787.7 88077728.63 87474803.74 154287270.1 184792544.5 177382864.1 226880019.2 269312556.8 N8-Acetylspermidine 1.87E+08 3.78E+07 1.75E+08 1.34E+06 4.96E+06 7.75E+06 2.72E+06 1.34E+07 8.80E+06 1.31E+07 7.14E+06 2.40E+07 1.37E+07 3.04E+06 1.99E+07 2.07E+07 1.52E+07 5.09E+06 3.98E+06 1.12E+06 1.64E+07 3.84E+07 4.04E+07 28292484.15 35296385.33 46771710.65 4841789.446 4897692.763 17046764.93 5660313.692 5767598.611 11534434.6 3646784.762 9914373.75 17614370.02 14036973.91 4299639.089 46491727.3 8675741.311 13969138.76 1644323.861 9899414.08 25181536.75 N-acetylalanine 2.01E+07 1.19E+07 1.34E+07 4.99E+06 3.94E+06 1.07E+07 4.91E+06 5.25E+06 7.21E+06 5.29E+06 5.37E+06 1.30E+07 2.59E+07 3.76E+07 1.02E+07 2.19E+07 1.05E+07 9.15E+06 9.28E+06 1.38E+07 1.62E+07 1.81E+07 1.37E+07 5956125.058 3898417.867 3900117.041 3281246.04 1364.218301 3493970.916 3538213.014 3848729.573 2961354.726 3722453.436 9415319.318 7041021.519 6464159.994 26079729.58 9681056.364 7883033.751 9022696.613 6845513.13 21522313.21 19823390.92 N-acetylasparagine 4.08E+07 3.71E+07 2.88E+07 1.13E+07 2.56E+07 4.01E+07 2.22E+07 5.10E+07 1.22E+07 8.41E+06 1.26E+07 1.76E+08 1.83E+08 1.27E+08 1.75E+07 3.38E+07 8.06E+06 9.17E+07 5.81E+07 9.26E+07 1.45E+07 1.56E+07 1.56E+07 64373659.67 65728603.67 51978964.76 12834465.17 14674866.22 17120591.66 59037059.47 42322296.02 12496706.89 9877246.999 580394022.3 323580949 348363170.6 86687049.39 15647306.73 173634117.1 107118703.2 114134813.3 16868717.65 18870680.96 N-acetylaspartylglutamate 9.91E+06 5.54E+07 1.64E+07 2.49E+06 6.34E+07 7.32E+07 4.92E+07 2.04E+08 1.31E+08 1.25E+08 1.27E+08 5.32E+06 6.22E+06 2.36E+06 3.69E+06 1.36E+06 3.30E+06 7.32E+06 7.71E+06 4.05E+06 7.71E+06 1.70E+06 2.11E+07 42159126.33 45430610.19 42248173.58 69890541.84 73147824.77 46584450.63 74897026.46 154056445.8 146430010.2 132082568.9 3247593.802 5192506.931 3415224.129 2153819.584 6221163.947 4134972.36 7960332.181 8401942.226 2958933.497 2992245.408 N-acetylcarnosine 4.76E+07 3.60E+07 3.31E+07 8.39E+06 1.34E+07 1.02E+07 8.59E+06 1.11E+07 2.54E+07 1.15E+07 2.18E+07 6.70E+06 2.14E+07 1.79E+07 4.40E+06 9.69E+06 2.06E+06 1.16E+06 8.86E+05 1.88E+06 8.43E+06 9.82E+06 8.14E+06 57274987.12 59881991.21 62864899.25 12453219.12 19858640.05 8537747.152 20958518.79 12455818.29 10769384.37 15502397.81 563304.7762 996421.6448 548530.1615 7602157.671 3602348.734 990087.552 3292774.231 920680.2048 15963538.49 12140827.74 N-acetylglutamine 3.71E+07 3.77E+07 2.83E+07 6.67E+06 2.10E+07 4.67E+07 2.84E+07 6.00E+07 2.09E+07 1.06E+07 2.31E+07 2.07E+08 3.15E+08 1.47E+08 1.84E+07 3.16E+07 6.36E+06 9.72E+07 6.92E+07 1.21E+08 9.79E+06 9.43E+06 9.26E+06 34604570.28 36396672.13 28604460.87 4535803.632 5142770.409 17258502.34 45983978.08 37837169.51 15468498.13 15536553.89 743544035.1 395583505 618443952.6 65489909.14 12503765.88 187913140 119686254.5 119418846.5 8359039.289 6160301.829 N-acetylhexosamine 4.28E+07 2.26E+07 3.14E+07 6.92E+06 1.45E+07 1.84E+07 6.75E+06 1.42E+07 1.86E+07 1.11E+07 2.19E+07 1.93E+07 1.03E+07 1.28E+07 7.71E+06 1.02E+07 5.96E+06 1.13E+07 1.15E+07 8.29E+06 2.09E+07 4.44E+07 2.91E+07 62685018.93 72558863.8 106222915.8 12764987.28 46768253.77 36365168.75 33790877.8 19150937.19 37301301.36 42172847.4 20750023.75 20523496.88 20957161.9 16791829.04 16608328.4 16690077.83 11270459.72 7624197.416 30307476.48 24889755.82 N-acetylhexosamine phosphate 7.64E+07 4.68E+07 4.01E+07 6.25E+06 4.13E+07 2.15E+07 1.32E+07 3.24E+07 2.29E+07 1.37E+07 2.24E+07 8.70E+07 1.83E+07 9.50E+05 1.84E+07 7.60E+06 5.66E+07 3.91E+07 4.72E+07 4.66E+07 3.36E+07 7.38E+07 4.72E+07 63359448.5 88356849.62 69297763.03 8563912.615 24990177.13 17239926.99 25177100.89 13554110.23 29027937.15 22500649.48 124539588.8 85121430.87 74156893.46 1480351.213 92524595.58 49974159.94 23955431.25 28329624.05 29170571.92 57380440.33 N-acetylhistidine 7.18E+07 5.50E+07 4.56E+07 1.22E+07 4.38E+07 8.13E+07 1.75E+07 9.65E+07 1.34E+07 9.24E+06 1.57E+07 1.65E+07 5.01E+07 4.01E+08 4.34E+07 1.31E+08 1.75E+07 7.48E+07 5.31E+07 7.07E+07 1.53E+07 1.93E+07 1.49E+07 86554202.35 93986703.57 94596065.01 16013087.82 34722473.39 24738550.15 77772215.75 53686335.4 15066081.06 16562435.45 32479418.32 19242845.63 20992857.45 309965805.5 48824317.19 61584201.42 40131401.62 23190658.15 24230601.6 19194856.07 N-acetylisoleucine 1.29E+06 3.35E+06 2.38E+06 3.32E+06 5.66E+06 1.05E+07 2.36E+06 1.72E+07 2.19E+05 2.77E+05 6.14E+05 2.48E+06 5.10E+06 8.89E+07 6.94E+06 1.97E+07 2.01E+06 1.07E+07 1.31E+07 1.95E+07 1.51E+06 2.53E+06 2.41E+06 2858073.861 3478036.741 2823983.202 1256398.256 1822350.784 4073532.214 3597281.114 1756372.512 696255.3395 613922.2001 54696636.86 43006535.47 52154698.6 86078014.33 14156830.62 15570572.03 13038294.5 9381999.431 1487130.593 1428088.969 N-acetylleucine 8.98E+05 1.16E+06 7.40E+05 1.31E+06 2.69E+06 3.46E+06 7.07E+05 6.19E+06 8.47E+04 1.44E+05 3.30E+05 5.57E+05 8.58E+05 2.22E+07 2.23E+06 4.27E+06 6.99E+05 3.21E+06 4.32E+06 7.22E+06 5.45E+05 7.66E+05 6.94E+05 824407.9802 850208.3584 916681.9498 427797.025 1028198.828 1216305.161 1458247.739 1025930.884 290280.8927 300839.0543 4024402.882 3434605.166 4336003.709 26699058.93 4215940.733 4082975.343 3163084.97 2195433.605 369758.8574 570186.947 N-acetylmethionine 9.42E+06 5.17E+06 7.12E+06 1.12E+06 1.66E+06 2.99E+06 6.19E+05 3.46E+06 3.57E+05 5.18E+05 5.29E+05 4.81E+06 3.15E+06 1.45E+07 1.69E+06 3.28E+06 2.22E+06 2.29E+06 4.65E+06 4.31E+06 2.77E+06 4.26E+06 2.71E+06 1669372.605 1907300.55 2013451.906 739386.4019 970075.8631 1309014.845 832570.0851 818533.0663 853356.4245 712031.2598 5246205.112 5738207.906 5460131.709 11362291.05 5620086.988 2527391.661 3568132.699 2278490.491 2408756.917 1855613.749 N-acetylneuraminate 3.48E+08 3.73E+08 2.93E+08 1.38E+08 3.20E+08 4.62E+08 3.63E+08 2.35E+08 5.39E+08 3.03E+08 4.93E+08 4.21E+08 3.41E+08 1.01E+08 7.75E+08 1.47E+08 1.01E+08 9.47E+08 5.57E+08 3.89E+08 1.77E+08 1.52E+08 1.41E+08 216722519.1 257888943.1 203640014.6 76268703.99 93318876.69 195444260.9 133144914.7 146233640.2 312456505.5 314170896.3 1074398244 1008175191 736609447.5 49620070.02 203394810.6 885525494.1 1379611342 854267900.9 124696315.5 252797910.8 N-acetylphenylalanine 1.67E+06 3.53E+06 2.02E+06 1.63E+06 4.18E+06 5.57E+06 1.21E+06 8.89E+06 1.16E+05 3.44E+05 9.34E+05 9.56E+05 2.70E+06 4.98E+07 3.50E+06 1.16E+07 1.01E+06 5.23E+06 5.80E+06 9.12E+06 1.97E+06 3.11E+06 2.95E+06 10025291.04 16756154.22 15446094.89 1057892.284 3885937.286 2714119.546 8245175.096 2119932.694 1600387.31 1130700.062 6491037.325 6468294.149 5257294.679 47548468.42 8263093.087 7173786.824 4979297.636 2851305.253 1918571.653 2275498.67 N-acetylputrescine 8.08E+07 4.19E+07 5.01E+07 2.11E+07 2.58E+07 3.60E+07 5.88E+06 1.69E+07 1.86E+07 1.09E+07 1.78E+07 9.60E+06 1.25E+07 1.46E+07 9.69E+06 1.35E+07 8.03E+06 6.44E+06 5.02E+06 4.59E+06 9.02E+06 7.88E+06 8.45E+06 52414678.1 56655116.33 63276902.42 24562295.7 36194392.86 14149172.03 22286095.07 17846344.8 10504797.18 14377684.42 1961238.782 4594213.196 2108001.203 14562607.31 17053054.87 4455103.968 7587715.529 3662900.028 9262409.023 11258668.06 N-acetylserine 2.29E+08 1.16E+08 1.79E+08 8.49E+07 5.80E+07 1.61E+08 5.90E+07 9.78E+07 4.86E+07 4.50E+07 3.86E+07 1.87E+08 1.79E+08 3.13E+08 9.60E+07 1.36E+08 8.67E+07 1.42E+08 1.39E+08 1.64E+08 1.37E+08 1.55E+08 1.20E+08 84374290.56 63649758.83 59716443.76 41008411.58 28883064.41 67758781.85 56944650.06 50340862.21 36650250.19 33433691.68 120359892.9 101774539.9 99262476.46 193704281.8 92042896.52 124103744.4 130704652.1 122638759.9 127340444.4 126569971.1 N-acetyltaurine 8.65E+07 5.78E+07 8.24E+07 1.20E+07 4.32E+07 3.36E+07 9.57E+06 3.14E+07 1.79E+07 1.44E+07 1.64E+07 3.67E+07 4.18E+07 4.82E+07 3.76E+07 1.78E+07 5.14E+07 3.77E+07 3.89E+07 4.23E+07 6.48E+07 2.70E+07 9.77E+07 74305080.52 60953050.13 52772296.53 21256669.59 44582767.09 15867847.72 31271282 22881916.2 23537173.42 23147498.2 14330506.81 15213791.58 16801152.87 14877636.89 24938525.24 33400481.55 55896297.31 31749310.82 23551524.9 23741422.63 N-acetylthreonine 2.12E+07 2.18E+08 2.57E+07 6.32E+06 7.17E+08 1.82E+08 5.77E+07 6.86E+08 2.60E+09 1.16E+09 3.30E+09 3.64E+07 3.46E+07 1.93E+08 1.11E+08 6.09E+07 2.11E+08 1.28E+08 1.14E+08 1.24E+08 7.64E+07 2.59E+08 2.47E+08 200578231 236662053.2 244522904.3 18166300.54 455558220 247185333.7 753807014.4 346127650.7 2285436082 2722433589 76226964.5 37743794.64 75409480.34 184418009.4 98226773.43 70859408.03 179282524.4 77979339.8 149066265.3 221886589.9 N-acetyltryptophan 9.25E+05 2.06E+06 9.14E+05 5.34E+05 5.79E+06 1.20E+06 5.19E+05 2.95E+06 4.82E+05 7.32E+05 2.38E+06 3.45E+05 6.53E+05 8.20E+06 4.99E+05 2.10E+06 1.92E+05 1.07E+06 1.81E+06 1.25E+06 9.70E+05 1.59E+06 1.15E+06 12926237.74 21278941.93 16694089.86 1657005.15 7133658.793 1672373.982 6260966.571 1636044.48 2317569.989 2092329.342 5112249.291 4932076.895 3121629.584 8365152.558 1357530.576 14833500.52 1813786.635 1086015.525 1060731.014 573271.1625 N-acetyltyrosine 8.25E+06 8.19E+06 6.15E+06 2.65E+06 5.10E+06 5.85E+06 3.19E+06 8.83E+06 2.48E+06 1.67E+06 5.00E+06 2.02E+06 6.25E+06 4.83E+07 5.48E+06 1.58E+07 1.43E+06 8.42E+06 5.47E+06 1.14E+07 2.68E+06 3.24E+06 2.29E+06 35993448.86 54787378.92 45817922.65 1991275.834 5865507.433 4871413.898 25362856.27 5374723.06 3927322.789 4202793.663 24572589.74 15537550.46 12203939.11 68613120.72 6139137.301 18956821.29 7613295.387 5877113.737 6267379.379 2523605.028 N-acetylvaline 5.12E+06 4.48E+06 3.64E+06 3.83E+06 5.20E+06 7.73E+06 3.04E+06 7.76E+06 2.53E+06 2.00E+06 2.42E+06 2.55E+06 6.42E+06 4.42E+07 6.28E+06 1.40E+07 2.56E+06 8.24E+06 6.24E+06 1.11E+07 5.85E+06 6.04E+06 5.42E+06 2916738.991 3545665.747 3515163.134 1380769.715 895333.971 3337739.33 4871834.464 4082581.345 2225931.443 2459967.076 5463282.816 4028649.15 4117604.533 42504099.89 6418136.518 5209291.708 5213362.178 4708813.33 7600099.283 6233759.292 NAD 2.49E+08 4.27E+08 3.82E+08 9.04E+07 5.68E+08 1.76E+08 2.65E+08 5.79E+08 3.60E+08 2.31E+08 3.26E+08 4.03E+08 2.17E+08 7.02E+07 2.47E+08 7.70E+07 2.04E+08 1.64E+08 1.15E+08 1.37E+08 1.70E+08 2.39E+08 2.53E+08 286027199.9 497999087.8 453523418.2 207822573.6 475147881.8 258147108.1 260216320.7 294058011.4 500531465.2 278099432.8 212904175.2 324107405.6 367801110.7 12261215.04 238939669.7 106639101.7 197849072 173427655.9 144467362.5 149751602.3 NADH 1.53E+06 2.43E+06 3.61E+06 2.08E+05 1.31E+07 6.17E+06 1.86E+06 3.25E+07 6.92E+07 2.73E+07 6.12E+07 4.69E+06 9.47E+05 3.79E+03 2.37E+03 1.47E+05 4.06E+06 1.60E+05 4.75E+06 2.48E+06 4.72E+06 5.43E+06 4.06E+06 43272951.45 74528998.22 61544371.8 13135013.15 49062178.24 27992908.56 50692734.7 24628844.9 73811492.06 87276252.37 16976840.44 15713941.66 24487877.12 4451.833386 358708.8964 9883396.61 6782995.741 5688715.753 1479128.636 1307440.876 NADP 1.77E+07 1.95E+07 7.41E+06 2.13E+07 3.03E+07 1.06E+07 2.13E+07 1.78E+07 2.02E+07 1.72E+07 2.16E+07 1.01E+07 2.46E+06 1.11E+06 8.62E+05 4.77E+05 6.66E+06 5.57E+06 6.39E+06 2.24E+05 3.05E+06 3.78E+06 2.75E+06 14761288.01 15650676.55 14306607.67 16300949.8 20285999.32 5918249.898 23310045.28 20528353.2 22320283.67 20915889.55 3307818.25 4592766.163 3444730.091 144046.2974 2711386.88 3294679.484 3224983.185 2866650.307 1844202.419 2981107.796 NADPH 3.37E+06 3.38E+06 7.86E+05 7.75E+04 7.18E+06 2.98E+06 5.88E+06 3.51E+06 2.07E+06 2.17E+06 1.89E+06 5.27E+06 3.38E+04 3.79E+03 3.46E+04 4.71E+03 8.54E+05 3.18E+05 2.15E+06 5.51E+04 3.50E+03 9.20E+04 4.82E+03 9485060.351 7440406.891 5671172.063 3793857.602 4709655.955 784370.5998 2122254.423 6071868.379 1721228.798 4312552.001 1386451.201 1176721.206 2898349.044 125337.2521 720249.3684 194519.0029 298372.886 501695.6596 87879.16886 40129.12337 N-alpha-acetyllysine 1.27E+08 1.80E+08 1.44E+08 1.57E+07 1.32E+08 8.85E+07 1.22E+08 4.44E+08 1.18E+08 6.62E+07 1.23E+08 1.28E+08 9.79E+07 3.90E+08 4.06E+07 9.08E+07 7.17E+06 2.57E+08 2.28E+08 2.87E+08 9.53E+06 1.22E+07 1.03E+07 263534449.2 335060236 322297556.7 18501274.02 95212021.36 48098199.43 375932202.8 191554695.1 126782169.6 137636104.8 1298931548 187026186.1 269144177.8 416631029.1 28883492.37 152932705.4 131595189.6 234830445.2 17271650.63 12010623.26 N-butylbenzenesulfonamide 3.51E+06 8.52E+06 3.02E+06 2.28E+06 7.36E+06 1.53E+07 3.19E+06 1.47E+07 3.17E+06 2.89E+06 6.93E+06 3.26E+06 4.55E+06 2.14E+07 5.39E+06 4.82E+06 5.39E+06 8.01E+06 7.83E+06 1.97E+07 1.28E+07 1.00E+07 7.27E+06 3251109.23 7045012.999 3758140.665 1204417.055 2761384.372 3657189.128 3046740.421 7249760.902 4730605.369 5082606.96 1405926.116 1289818.861 1808774.48 12935688.76 6294587.275 2733167.052 9426066.603 7139990.53 15205162.4 7592473.443 N-formylkynurenine 3.25E+07 6.38E+06 7.81E+06 7.77E+05 8.17E+05 1.61E+06 1.43E+06 6.39E+05 3.22E+05 8.47E+05 2.55E+05 1.02E+07 3.40E+07 8.46E+06 6.50E+07 1.07E+07 2.02E+07 4.27E+07 3.51E+07 9.60E+06 1.43E+07 2.05E+07 9.12E+06 1000801.722 1428744.259 736632.1599 562516.2237 304453.57 1375580.055 502376.1711 744712.2254 2702598.967 1716609.773 28314547.49 25419949.29 38242096.46 3240867.19 2542461.543 35941727.28 9060399.605 10702945.63 10089562.28 12045978.76 N-formylmethionine 1.93E+06 1.23E+07 2.87E+06 5.69E+06 4.99E+07 5.88E+06 3.24E+06 3.68E+07 1.51E+06 1.18E+06 3.91E+06 2.27E+06 6.43E+05 2.02E+05 1.78E+06 6.63E+05 1.05E+07 2.33E+07 1.01E+07 1.30E+07 2.59E+06 4.79E+06 5.68E+06 4626308.772 5806586.093 5331655.354 3614689.67 11536797.82 9248843.881 30101397.19 7796936.164 8834747.35 3510633.915 3785392.134 2026547.202 2808998.495 2755477.07 4453315.519 6144891.542 6258331.07 8716422.443 3527726.865 3597670.101 nicotinamide 2.77E+08 2.91E+08 2.20E+08 4.39E+07 2.76E+08 6.41E+08 8.16E+07 1.82E+08 1.41E+08 2.19E+08 1.24E+08 1.12E+08 1.51E+08 6.58E+07 6.41E+07 1.93E+08 3.31E+08 1.06E+09 7.48E+08 4.66E+08 5.09E+08 1.46E+08 5.69E+08 198727299.9 321842156.6 208978043.5 70736161.16 120365025 263667043.3 78768928.09 148048560.8 347790359.7 219868735.5 155660081.1 186534932.5 156629235.7 88998356 756367934.7 281657505.8 250589973 248499461 146325091.6 115349359.3 nicotinamide mononucleotide 5.30E+06 5.98E+06 2.92E+06 4.25E+06 1.15E+07 4.34E+06 1.27E+07 1.04E+07 1.10E+07 8.30E+06 8.92E+06 5.20E+07 2.10E+07 1.10E+06 3.07E+07 2.61E+06 4.25E+07 6.82E+06 1.26E+06 1.40E+07 4.26E+07 1.21E+08 2.83E+07 7012813.739 8598478.893 6144364.449 7444647.673 14068197.24 8864797.087 7229707.895 8589082.631 19191412.96 13417807.32 1928326.504 3114046.749 1833444.14 25280.71491 3717334.433 1438484.257 9434059.033 7393130.455 18169233.67 18024835.05 N-methylglutamate 5.89E+07 8.49E+07 6.25E+07 1.31E+07 1.25E+07 6.23E+06 4.92E+07 1.45E+08 8.84E+07 7.31E+07 9.20E+07 2.70E+07 2.25E+07 1.68E+07 1.42E+07 9.05E+06 7.74E+06 4.67E+06 5.53E+06 6.39E+06 4.26E+06 5.31E+06 7.60E+06 118104812.9 151188857.7 140201353.4 125403057.4 213013244.4 7880607.839 56751252.87 53927639.91 79840951.19 99700733.96 121345047.3 121739094.5 116108426.1 15517734.21 7474536.35 5270236.527 11273435.33 6013285.924 4452223.087 3395998.282 N-methylproline 3.12E+08 3.55E+08 2.32E+08 5.62E+07 8.60E+07 6.90E+07 2.70E+07 1.84E+08 1.40E+08 7.06E+07 1.92E+08 3.34E+08 6.29E+08 8.44E+08 2.68E+08 7.66E+08 2.33E+08 5.82E+07 3.87E+07 8.11E+07 2.54E+08 2.77E+08 3.21E+08 227264479.6 234847323.1 245205529.8 49753059.71 152734728.1 23881454.14 65557452.48 34509171.35 184731618.7 174643241.7 117703161.8 120229413 118189116.9 1012331933 450843936.1 29533883.41 101995218.1 31314934.61 390133026.2 362728893.4 norlidocaine 1.34E+05 2.41E+03 2.38E+03 2.75E+08 3.94E+08 3.05E+08 1.27E+08 2.70E+08 2.27E+08 1.77E+08 2.08E+08 2.02E+03 6.23E+05 8.40E+06 3.84E+08 1.42E+08 2.13E+08 2.11E+08 4.58E+08 1.56E+08 9.17E+07 7.78E+07 7.51E+07 141271.1236 445053.9971 145838.21 215405200.7 302727705.5 205682069.9 270916233.6 232598038 180632862 207959266.5 184738.0154 72721.49705 128122.8459 33805039.92 213387928.9 248177245.9 230093520.5 138630357.5 34547062.9 81473730.81 octadecanoylcarnitine 3.03E+08 1.32E+08 5.35E+08 5.64E+08 1.18E+08 8.47E+07 1.17E+08 1.05E+08 8.36E+07 3.77E+08 2.32E+08 4.93E+08 1.84E+08 1.38E+08 6.61E+06 1.47E+08 3.44E+07 1.02E+07 4.97E+07 6.96E+07 6.80E+08 5.17E+08 3.41E+08 808517266.9 759879971.5 794839369.1 1742931260 846827089.1 1347871791 652934751.3 746104958.7 711470853.8 465865138 452835175.6 638061551.5 517348953.2 60512748.48 482563718.3 541703856.8 219019195.8 87939176.28 2144719913 1153282858 octanoate 5.94E+06 1.16E+07 7.31E+06 8.91E+06 1.20E+07 8.55E+06 6.21E+06 1.24E+07 3.10E+07 1.86E+07 2.16E+07 4.21E+06 1.37E+07 2.63E+07 1.77E+07 2.08E+07 1.12E+07 1.72E+07 7.72E+06 2.25E+07 9.21E+07 5.08E+07 8.82E+07 2876044.763 3299465.904 5486461.733 3060899.226 11787975.47 4017814.281 4320242.293 7569903.823 30684001.22 16962374.57 917215.1637 1206987.413 1250121.63 44147870.67 26705383.1 2575695.11 26499286.61 13466783.94 32867026.29 37135760.78 octanoylcarnitine 2.51E+07 3.31E+07 3.27E+07 1.23E+07 2.03E+07 2.28E+07 2.18E+07 2.86E+07 5.75E+07 1.66E+08 8.80E+07 1.92E+07 2.27E+07 3.68E+07 1.41E+07 2.04E+07 1.46E+07 6.88E+06 1.56E+07 1.44E+07 5.39E+07 4.62E+07 5.78E+07 20410824.99 28155850.19 30120227.34 52233501.56 58010639.31 48932314.47 41711144.88 72970794.92 142637581.5 116721121.6 9837316.478 21375228.08 15354530.97 17054543.1 41115869.22 16661892.99 45580241.51 23908773.12 44038498.52 47118305.88 octenoylcarnitine 1.22E+07 2.17E+07 1.86E+07 1.10E+07 8.25E+07 2.32E+07 2.09E+07 4.59E+07 1.60E+08 6.93E+07 1.94E+08 2.45E+07 1.95E+07 1.51E+07 9.45E+07 4.15E+07 1.10E+08 1.57E+07 3.31E+07 6.93E+06 3.89E+07 3.76E+07 4.08E+07 8334343.169 12110797.87 10380735.22 19339560.57 41769291.45 9976865.23 25876089.34 12570324.57 74749372.9 76478058.55 50654483.22 63131716.29 64104808.18 37012500.6 61957823.67 38120509.09 8862229.494 4741184.009 34260378.92 31025287.85 oleate 9.08E+08 4.25E+09 8.62E+08 5.42E+08 1.31E+09 8.16E+08 7.62E+08 1.64E+09 1.96E+08 1.73E+08 2.14E+08 7.91E+08 8.48E+08 1.32E+09 1.22E+09 9.99E+08 8.11E+08 1.40E+09 5.70E+08 1.34E+09 8.43E+08 6.62E+08 1.60E+09 330246798.3 278837603.7 297479731.7 278310050.7 736982434.2 634890700.7 637061169.3 614327908.8 361277593.4 240369193.6 91273177.05 166733314.6 206296916.4 1742750663 737089974.6 328300702 2073197334 738588156.7 1144143287 620692159.1 oleoylcarnitine 5.17E+08 5.79E+08 7.81E+08 4.53E+08 3.99E+08 2.85E+08 4.19E+08 3.58E+08 1.32E+08 6.71E+08 4.53E+08 3.77E+08 4.06E+08 5.12E+08 5.01E+07 2.71E+08 3.56E+08 1.83E+07 1.25E+08 1.27E+08 9.12E+08 3.80E+08 2.59E+08 720804719.3 650828522.6 784079413 1917772894 2496438971 2291815834 1202484984 2192897242 1150545615 783942507.2 544753330 1093351972 963157303.5 112207224.2 2361518558 1533837070 1067297993 176973126.8 1343433967 817438520.3 ondansetron 2.07E+08 8.00E+07 8.66E+07 7.69E+02 1.56E+03 2.30E+03 1.13E+08 2.75E+08 1.60E+03 1.55E+03 1.46E+03 4.50E+07 7.42E+07 2.63E+07 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 8.88E+07 3.50E+03 3.10E+03 4.82E+03 125277412.8 110114856.8 100030119.3 988.7667309 1364.218301 1880.297323 270978034 236418120.9 2359.459188 1433.168049 76396019.37 49118073 56661066.36 4451.833386 2585.50794 1207.562202 170757423.5 92215496.58 5498.547487 5370.189143 ophthalmate 4.64E+07 9.51E+07 5.38E+07 7.88E+06 3.51E+07 4.19E+07 4.87E+07 7.84E+07 4.70E+07 2.99E+07 3.64E+07 7.04E+07 1.72E+08 8.25E+07 8.91E+07 1.38E+07 3.24E+07 3.49E+07 2.08E+07 6.56E+07 6.44E+07 2.09E+07 6.71E+07 56778096.41 80205379.12 78205970.64 16812941.17 18776842.82 28412059.34 31693733.68 35886739.48 32846789.87 29063816.72 32123563.68 41009927.96 74906432.05 13389918.35 18901169.1 49931232.4 47673142.45 47100271 5362018.759 7245849.737 ornithine 3.11E+08 1.61E+08 1.94E+08 1.86E+08 1.09E+08 2.29E+08 1.28E+08 1.00E+08 1.55E+08 1.99E+08 1.53E+08 2.86E+08 5.24E+08 5.79E+08 3.04E+08 9.55E+08 1.75E+08 1.93E+08 2.80E+08 2.24E+08 7.96E+08 9.78E+08 8.02E+08 283501020.3 156263688.7 180276152.5 207972202.8 184330955.9 214246005.2 141296146.1 135036531.3 180589915.2 212394505.7 303619361.4 115389921.4 127036737.3 473692046.4 323839358 537615482.9 286500545.1 174414015.9 1573412245 1160925669 O-succinylhomoserine 1.01E+07 7.47E+06 1.33E+07 1.39E+07 6.39E+06 8.04E+06 2.37E+06 3.97E+06 1.82E+06 6.45E+06 9.01E+06 1.12E+07 8.04E+06 1.30E+07 3.54E+06 8.80E+06 3.16E+06 2.43E+07 1.90E+07 9.87E+06 1.01E+07 1.69E+07 1.52E+07 27852736.35 37291907.56 34224749.33 9007428.679 19093358.36 26450779.57 14665737.76 9406613.515 23709090.63 19460801.84 89084475.87 55130375.64 87462193.8 14584624.69 12706257.33 78596754.21 26096759.51 35914853.37 18493990.21 20666812.58 o-toluidine 2.46E+07 1.76E+07 2.38E+07 8.56E+06 2.31E+07 3.32E+07 2.22E+07 2.57E+07 2.88E+07 1.93E+07 2.54E+07 2.26E+07 5.54E+07 5.53E+07 3.97E+07 6.37E+07 1.45E+07 1.94E+07 2.03E+07 2.97E+07 4.15E+07 3.80E+07 4.70E+07 25314997.73 29539040.22 28306052.38 14464215.24 16682130.31 24730379.83 18546759.63 17054969.92 25905273.24 19530507.59 12997166.33 14770169.52 20656062.73 42345047.21 32091827.82 16018321.87 28576279.92 14308294.84 72997409 68037128.34 Oxidized glutathione 1.06E+08 3.35E+08 2.02E+08 4.34E+08 6.66E+08 1.51E+08 9.12E+07 7.84E+08 6.31E+07 4.02E+07 1.34E+08 4.36E+07 4.96E+07 4.11E+06 4.95E+08 1.57E+07 7.15E+08 6.21E+08 9.84E+08 5.12E+08 1.24E+08 1.31E+08 1.17E+08 43913915.08 50041989.42 87188216.58 100692997.1 692523203.2 210894093.7 603549866.6 444209046.3 142979645.3 104810189 102160461.5 116252735.8 119642426.2 4451.833386 370715470.7 896675905.3 1084634411 1502992891 10942751.09 13219931.45 palmitate 6.12E+09 1.54E+10 6.95E+09 3.20E+09 7.27E+09 7.65E+09 3.99E+09 1.05E+10 1.07E+09 9.93E+08 2.14E+09 7.43E+09 6.83E+09 3.38E+10 6.58E+09 1.58E+10 1.00E+10 1.18E+10 7.39E+09 1.01E+10 5.12E+09 3.89E+09 4.03E+09 4419447683 4313906314 4356418543 3570078039 8453497306 3484685123 4419038800 4681504613 4050624118 1574270866 1922676944 1532060420 2371363827 43397112235 15466950889 1865958189 8024900654 4402343993 6576255087 8174727929 palmitoleate 1.95E+06 1.75E+06 3.07E+06 1.69E+06 2.24E+06 7.03E+05 2.04E+06 1.18E+06 1.64E+05 3.27E+06 2.11E+06 8.47E+05 1.71E+06 2.11E+06 3.07E+05 4.68E+05 1.19E+06 2.02E+04 5.03E+05 7.32E+05 8.43E+05 7.45E+05 5.31E+05 3642458.631 3060644.102 3188791.253 6890678.629 15723990.92 6519145.198 5745345.05 10950811.38 4930760.809 2988176.877 1071827.021 3085664.955 2998505.704 778021.0846 11426589.49 5439290.754 4545325.323 710862.992 1653182.547 1217787.982 palmitoyl sphingomyelin 9.55E+08 2.30E+09 2.01E+09 5.58E+07 7.59E+08 8.34E+08 7.46E+08 6.63E+08 6.51E+08 5.53E+08 5.15E+08 2.39E+09 2.76E+09 9.27E+08 2.58E+08 4.71E+09 7.13E+08 1.54E+08 1.01E+08 2.18E+08 8.25E+08 5.02E+08 1.76E+09 1174651628 1873601801 1259896716 431169766.9 1431165280 1207102224 504269321.6 212241569.1 1030354982 482220722.2 475917844.9 940966234.3 880554402.3 1631531286 363884936.9 813660944.5 372361288 83592636.53 2514874118 2080641706 palmitoylethanolamide 3.84E+08 2.28E+08 1.30E+09 2.55E+07 1.48E+08 5.31E+07 2.44E+07 2.08E+08 1.84E+07 1.51E+07 1.96E+07 8.01E+08 9.21E+07 6.34E+07 2.15E+07 5.55E+07 6.15E+07 2.79E+07 1.58E+08 2.73E+07 2.83E+07 1.29E+07 3.11E+08 47463438.67 81564915.97 51171526.83 79522487.6 48066084.2 36771121.68 106290225.1 31883500.38 26001900.42 6455840.156 394232702.3 166783378.5 47908376.03 13111707.62 50275566.13 54162855.33 123885251.7 10947436.87 66378566.24 65949230.39 pantothenate 1.13E+08 1.26E+08 9.93E+07 5.77E+07 3.61E+08 2.14E+08 1.24E+08 3.72E+08 3.53E+08 2.74E+08 3.59E+08 5.92E+07 7.64E+07 3.77E+07 1.12E+08 5.51E+07 8.28E+07 1.24E+08 1.52E+08 7.93E+07 1.79E+08 1.42E+08 2.67E+08 219798085.4 259485295.3 284833784.8 195735432 352213621.5 508503814.8 283678979.8 290400424.5 562932633.3 500009546.2 163118218.7 168118485.1 120536970.7 34120287.05 81979018.35 137358663.6 286608872.7 119124877.3 68116356.94 81111707.44 p-Cresol sulfate 8.36E+08 1.03E+09 7.96E+08 2.84E+08 1.51E+09 5.81E+08 1.64E+08 4.69E+08 3.25E+08 2.24E+08 2.99E+08 4.94E+08 1.22E+09 2.59E+09 2.44E+08 5.40E+08 1.37E+08 2.14E+08 3.81E+08 1.99E+08 5.88E+08 5.14E+08 6.20E+08 511417727 610483736.1 683078128 595849521.8 551996840.4 736974039.7 398039346.6 519909482.7 299418035.8 225483952.5 64245870.64 176621293.4 94934651.02 593787090.5 502368462.8 255767695.9 459271745.7 95050149.37 510360034.5 441506049.7 PEG n6 1.29E+07 1.47E+07 1.07E+07 3.99E+07 1.22E+07 3.55E+07 1.75E+07 1.65E+07 5.91E+06 7.61E+06 1.14E+07 9.27E+06 2.67E+07 6.57E+07 8.80E+07 6.86E+07 3.37E+07 3.04E+07 1.78E+07 2.07E+07 5.43E+07 1.77E+07 1.50E+07 12181009.54 8083506.779 7993782.867 18591188.97 21068033.92 9746995.479 16490508.38 28910896.12 6344058.951 11104101.47 5033025.802 3799940.907 4223059.818 87718317.31 49768928.21 13908725.71 44193908.89 12406190.97 23604590.88 20104874.5 PEG n7 1.38E+07 2.65E+07 1.55E+07 3.18E+07 2.20E+07 2.04E+07 7.33E+06 2.01E+07 3.86E+06 4.36E+06 7.07E+06 1.50E+07 1.73E+07 7.01E+07 6.05E+07 4.98E+07 3.90E+07 1.13E+07 1.40E+07 1.21E+07 2.17E+07 1.16E+07 1.24E+07 10780175.01 12145055.08 10627930.04 24576482.29 51866449.18 10484339.72 14262135.72 21047238.57 6471628.23 10908585.94 4244599.45 4144914.825 5849777.747 65338191.98 74816189.77 6919608.698 44971496.13 7354954.38 15525499.59 10607586.97 PEG n8 1.72E+07 3.18E+07 1.77E+07 3.63E+07 2.14E+07 1.74E+07 5.73E+06 1.75E+07 4.31E+06 4.40E+06 6.91E+06 1.94E+07 2.12E+07 1.00E+08 7.28E+07 5.93E+07 5.00E+07 1.14E+07 1.24E+07 9.70E+06 2.09E+07 1.22E+07 1.07E+07 12356332.72 14234531.43 12455017.31 28430541.33 68938081.03 9697740.71 11833724.06 16789740.54 5887867.82 11266572.16 5065072.797 4075492.587 6412328.935 77453032.6 92993767.4 5327946.979 52536823.62 7232194.714 14823221.02 10389193.75 pentadecanoate 2.80E+07 8.09E+07 3.06E+07 1.82E+07 6.82E+07 5.24E+07 3.29E+07 9.78E+07 6.19E+06 6.20E+06 1.41E+07 3.23E+07 3.04E+07 1.43E+08 5.69E+07 6.74E+07 4.52E+07 1.67E+08 6.11E+07 1.17E+08 3.59E+07 2.61E+07 3.94E+07 15830222.86 20337223.64 16530218.37 14850926.47 49574279.46 29339150.94 59980068.62 43623473.57 17612911.22 10637798.5 6881092.492 6707005.901 13133310.16 310704671.8 70745517.38 16848123.46 82623802.93 41205883.19 42687641.84 44009232.58 phenol sulfate 1.27E+08 7.64E+07 8.37E+07 4.24E+07 1.60E+08 8.81E+07 1.63E+08 2.28E+08 3.77E+07 2.73E+07 2.62E+07 5.61E+07 1.83E+08 2.32E+08 3.16E+07 9.31E+07 3.43E+07 8.51E+07 5.51E+07 1.35E+08 5.71E+07 5.32E+07 7.30E+07 54363781.82 58685579.51 69873043.26 48224281.78 30427655.84 92891746.19 274039552.7 350907283.7 23224629.92 21754723.53 8237048.41 16541114.67 8996020.694 71324056.38 47678236.11 33494935.65 204602369 83954459.27 69241087.75 57251251.4 phenylacetylglutamine 7.03E+08 1.09E+09 6.95E+08 2.20E+08 1.58E+09 3.98E+08 3.70E+07 2.86E+08 1.14E+08 7.57E+07 1.37E+08 2.82E+07 4.97E+07 8.95E+07 2.22E+07 5.32E+07 2.12E+07 1.88E+07 4.13E+07 8.75E+06 2.61E+07 2.69E+07 2.70E+07 1015015154 1444675991 1903503831 772965621.1 2417359471 550892680.6 299273371 237881223.8 121878777.9 131316705.5 8227618.041 11146003.23 7843793.156 55646411.88 52434402.44 30598299.05 27496401.29 4518568.51 30050757.13 25908999.87 phenylacetylglycine 5.25E+05 9.76E+05 5.01E+05 3.62E+05 1.29E+06 1.02E+06 2.29E+05 1.75E+06 7.82E+04 4.24E+04 1.84E+05 2.28E+05 4.90E+05 8.59E+06 7.66E+05 1.42E+06 3.07E+05 9.07E+05 1.07E+06 1.79E+06 3.27E+05 4.41E+05 3.95E+05 588714.0111 964902.0345 953212.6489 581626.9635 1218300.072 877160.4516 728399.9668 694317.9454 135851.5334 144536.8859 43593.822 24484.3731 172446.4603 10149421.84 1123279.556 215979.9888 1182883.641 681035.5439 268022.1852 279272.5121 phenylalanine 9.86E+08 8.50E+08 8.15E+08 3.78E+08 5.64E+08 6.75E+08 4.66E+08 4.57E+08 7.60E+08 7.46E+08 9.61E+08 1.38E+09 1.98E+09 2.58E+09 8.80E+08 2.16E+09 7.76E+08 1.14E+09 1.13E+09 9.65E+08 2.50E+09 3.29E+09 3.01E+09 1333387926 1499866873 1379804414 482168177.3 775999125.1 1063687743 747441485.3 530614190.6 1133282234 1243455595 1147254526 1171207237 987626298.6 2867819722 1565166497 1462136826 1707617526 1027345877 5389731341 3639610122 phosphocholine 1.09E+10 1.78E+10 1.45E+10 6.44E+09 1.89E+10 1.13E+10 7.93E+09 1.85E+10 1.40E+10 8.43E+09 1.27E+10 1.07E+10 5.21E+09 3.60E+08 1.08E+10 2.03E+09 1.48E+10 1.41E+10 1.19E+10 6.80E+09 4.64E+09 3.60E+09 7.03E+09 17503361930 25363918966 24766573880 6443902185 17353600087 8349577908 16102460057 12215960120 12884883139 12225283610 14494905925 15783174693 15072552792 153585137.1 6215096937 9191444467 8384909117 10444795800 957599646.3 1869186795 phosphocreatine 7.22E+07 1.12E+08 6.39E+07 4.21E+07 9.13E+07 7.31E+07 1.18E+08 9.39E+07 1.27E+08 2.79E+07 7.69E+07 2.78E+08 1.23E+08 2.38E+06 1.20E+08 7.32E+07 7.03E+07 7.67E+07 6.57E+07 9.22E+07 1.76E+08 1.48E+08 7.89E+07 31990335.61 52868974.62 24745795.21 4532996.34 16598067.08 2453848.395 19023529.63 13362309.23 13937022.2 19895693.62 3495803.573 5309560.834 2472827.027 7100308.715 113072238.2 1370317.733 16112129.76 32733716.31 17739293.84 52458849.04 phosphoethanolamine 4.16E+08 4.88E+08 4.76E+08 2.41E+08 5.50E+08 5.05E+08 3.59E+08 5.29E+08 6.10E+08 4.42E+08 4.99E+08 4.75E+08 4.34E+08 2.19E+07 3.79E+08 1.63E+08 4.24E+08 2.48E+08 2.97E+08 9.72E+07 3.68E+08 2.01E+08 4.97E+08 359809801.1 469323302.3 447750225 271050036.8 526402060.9 435754963.4 364162106.3 367526613.7 540963843.1 428846407.1 299592512.2 443231025.1 465670941.5 6298709.33 480897203.4 252976011.5 411922477.4 231925706.1 85777135.51 177148666.4 picolinate 1.99E+07 8.38E+06 5.97E+06 1.54E+06 3.02E+06 1.07E+07 1.04E+06 1.42E+06 1.03E+06 1.55E+03 1.46E+03 1.45E+07 6.03E+06 3.90E+06 2.37E+03 1.18E+07 1.03E+07 3.36E+07 6.83E+07 3.78E+06 9.94E+06 5.19E+06 1.08E+07 2810324.623 3178974.342 2850627.96 2381669.766 1875579.76 1567569.964 981370.8495 1092978.607 2359.459188 1433.168049 3037405.622 1785483.979 3438630.092 2634804.955 4802186.417 8756521.826 1720413.208 1922672.204 8622249.295 18287571.63 pipecolate 4.95E+07 4.32E+07 4.34E+07 2.82E+07 3.48E+07 3.93E+07 1.97E+07 2.24E+07 3.24E+07 2.66E+07 2.68E+07 4.38E+07 7.95E+07 8.97E+07 4.60E+07 1.02E+08 4.06E+07 5.11E+07 4.55E+07 2.71E+07 6.54E+07 6.37E+07 7.34E+07 29056288.2 27438004.19 27627975.09 24181293.17 22516351.53 35105563 17013486.75 22089563.23 30906279.23 26487685.52 22280045.71 34688062.2 24116598.67 113714921.9 63485214.13 63624625.46 29540923.33 20330810.16 87045717.72 81826262.03 piperine 3.19E+06 9.08E+06 3.56E+06 2.09E+06 4.10E+07 1.65E+07 2.36E+06 1.24E+07 1.95E+07 1.14E+07 2.38E+07 2.90E+06 3.87E+06 9.36E+06 4.02E+06 1.82E+07 5.37E+06 4.12E+06 1.61E+07 3.01E+06 4.51E+07 2.68E+07 4.54E+07 3553186.887 4262468.708 4100180.485 3072931.676 10571836.63 13976168.58 5056032.575 3590012.835 28239863.04 20036455.22 2266835.048 2452186.258 3275696.216 34940161.19 19076280.85 13379947.87 9410288.073 2350284.228 19152447.21 24147689.77 proline betaine 5.09E+09 3.28E+09 3.64E+09 1.27E+09 1.00E+08 1.23E+08 6.14E+08 4.87E+08 1.85E+08 2.10E+08 1.88E+08 4.95E+09 7.44E+09 8.00E+09 2.74E+09 4.89E+09 3.71E+09 1.02E+08 1.16E+08 1.05E+09 2.84E+08 2.98E+08 2.25E+08 3013392018 2213411532 2216669283 1344129456 909907602.4 71274827.24 546896061.2 671380391.9 150148511.3 177297147.7 3607415716 4363353792 3152554673 4686007530 2419628687 104922269.1 822664989.8 1185621375 399091392.9 369366097.4 propylurofuranate 3.13E+07 4.72E+07 3.44E+07 1.69E+06 3.86E+07 8.78E+07 2.22E+07 1.30E+07 1.51E+07 8.87E+06 1.06E+07 2.74E+07 7.07E+07 1.48E+08 3.77E+06 1.04E+07 1.83E+06 3.32E+07 6.22E+07 3.92E+07 6.33E+07 5.73E+07 8.09E+07 12634473.43 15509345.44 15149991.57 2001140.842 1084438.221 67777001.93 1308465.397 7361271.807 7847954.064 6154472.316 3986439.702 11113373.37 6021526.827 14497969.09 7992985.352 44319272.27 93347271.4 13253730.06 63339688.57 62567536.24 pseudouridine 2.16E+08 9.93E+07 1.03E+08 4.14E+07 1.47E+08 8.02E+07 1.02E+08 2.62E+08 1.66E+08 9.73E+07 1.65E+08 1.06E+08 2.76E+08 2.30E+08 9.56E+07 1.16E+08 4.95E+07 3.62E+07 4.01E+07 5.66E+07 1.42E+08 1.52E+08 1.20E+08 109058392.4 92315357.89 103554544.4 36005540 77828619.24 67069297.15 253711466.2 207102277.2 128327073.5 137278053.4 28837241.1 23431405.06 22477330.31 104594591.4 62648543 31783000.35 70240455.37 31602702.67 239052357.3 239041130.2 quinate 3.99E+08 4.34E+08 3.29E+08 3.25E+07 1.25E+07 1.98E+07 5.40E+07 1.67E+08 3.13E+07 2.82E+07 3.37E+07 1.01E+08 1.78E+08 2.47E+08 4.44E+07 8.04E+07 3.79E+07 5.38E+06 4.67E+06 3.91E+07 4.03E+07 3.84E+07 6.54E+07 384370498.2 503738414.6 550434077.1 71004821.33 90664757.15 9374708.515 171237353 161031158.8 33756817.58 33497232.86 17257759.52 18772720.65 16060464.3 96494268.41 66982894.85 2804852.079 56848942.58 17264469.64 92714495.87 102509798.3 quinine 2.09E+03 2.41E+03 2.38E+03 7.69E+02 1.56E+03 2.30E+03 1.48E+03 2.26E+03 1.60E+03 1.55E+03 1.46E+03 2.02E+03 3.35E+03 3.79E+03 2.37E+03 4.71E+03 1.06E+03 1.55E+03 1.32E+03 1.63E+03 3.50E+03 3.10E+03 4.82E+03 2027.381738 2841.636854 2479.492885 988.7667309 1364.218301 1880.297323 1007.382486 1182.352355 2359.459188 1433.168049 1076.376329 1412.617754 1545.795302 4451.833386 2585.50794 1207.562202 839085.8646 988.4230609 5498.547487 5370.189143 quinolinate 7.74E+07 3.40E+07 2.31E+07 5.51E+06 1.21E+07 4.12E+07 3.48E+06 5.22E+06 3.44E+06 3.22E+06 2.91E+06 5.90E+07 2.30E+07 1.49E+07 2.70E+06 4.53E+07 3.96E+07 1.31E+08 2.66E+08 1.38E+07 3.86E+07 2.19E+07 4.48E+07 11467325.53 12176905.55 12136775.17 8890271.669 7366872.62 6228582.942 3432118.478 4206301.344 2741900.695 2429185.216 11626944.99 6880840.683 13595961.59 9279544.577 18614974.56 34910536.28 6109221.709 7451498.133 34149055.61 73572293.78 retinol 4.13E+06 9.29E+06 1.54E+07 3.24E+06 1.56E+07 3.63E+06 5.01E+06 5.43E+06 3.54E+06 5.75E+06 3.43E+06 3.13E+07 5.79E+06 5.46E+05 3.19E+05 3.20E+05 4.23E+06 5.20E+06 1.04E+06 1.32E+06 3.63E+05 8.10E+06 1.21E+07 4878734.313 6186956.003 5659950.185 2883123.075 12039688.28 8164990.936 5109293.54 3903236.085 7614434.531 3034615.772 1149469.046 2332454.608 1420203.332 230167.9548 6507714.683 2683147.532 3338071.645 2707834.746 15435515.15 10231847.72 riboflavin 4.91E+05 6.64E+05 5.01E+05 2.31E+04 1.71E+06 1.79E+05 1.21E+05 1.04E+05 1.66E+06 1.36E+06 3.75E+06 2.02E+03 1.44E+05 5.20E+05 2.37E+03 7.49E+04 3.42E+04 1.55E+03 4.14E+05 1.63E+03 2.66E+05 5.99E+05 1.51E+05 1536443.522 2356433.625 2927816.915 1688520.31 3686274.317 1758067.429 2465541.989 1639446.886 1698166.056 7034043.504 1050947.81 805185.0398 452058.8587 65441.18849 34203.96246 614119.3505 125693.2679 319774.6251 1322813.296 70312.58756 ribonate 5.90E+07 6.94E+07 5.24E+07 2.40E+07 6.48E+07 3.73E+07 9.28E+06 6.26E+07 2.09E+07 2.54E+07 2.55E+07 4.76E+07 2.41E+07 1.46E+07 3.56E+07 1.32E+07 4.30E+07 4.02E+07 3.15E+07 4.19E+07 6.84E+07 8.23E+07 6.35E+07 32828306.95 45471747.44 53844358.07 28337865.51 52698387.47 28480110.96 32540975.6 41768808.38 32854158.23 24762809.82 24964173.72 40795331.52 32505382.43 11596547.47 54408333.52 25063630.75 65945202.11 50247723.49 45093945.04 51598736.02 ricinoleic acid 3.39E+07 6.43E+07 3.57E+07 4.95E+07 5.30E+07 4.17E+07 2.70E+07 8.62E+07 1.90E+07 1.55E+07 1.78E+07 3.37E+07 4.65E+07 1.48E+08 9.82E+07 2.08E+08 5.94E+07 8.23E+07 3.84E+07 7.02E+07 7.30E+07 7.09E+07 1.46E+08 31054532.01 27093975.03 26746995.72 48449612.96 69670519.79 31894128.26 38524434.72 38977140.23 29246611.46 17229826.38 9910558.173 10366854.6 15068222.22 632127916.8 175023093.8 20619455.31 68381306.96 42712294.42 113280265.5 107432494.7 S-(2-succinyl)cysteine 2.01E+07 1.44E+07 1.37E+07 9.89E+06 6.59E+06 1.43E+07 9.85E+06 9.49E+06 7.94E+06 7.78E+06 7.91E+06 1.16E+07 1.25E+07 4.62E+06 1.69E+07 7.59E+06 6.98E+06 7.51E+06 9.84E+06 9.40E+06 1.82E+07 2.81E+07 1.47E+07 15504548.27 13108121.23 13020321.07 10989084.75 8725249.229 6874612.949 6982496.155 8161571.871 7561542.494 7818112.727 10979005.21 6771922.854 6468554.158 3677594.03 9197101.27 7474003.876 8128280.734 6162256.508 12010984.33 19911028.94 S-(2-Succinyl)glutathione 8.67E+06 3.00E+06 2.60E+06 8.53E+06 2.66E+06 4.75E+06 4.47E+06 1.11E+06 2.02E+06 1.60E+06 1.58E+06 4.63E+06 1.90E+06 3.79E+03 4.56E+06 5.90E+05 4.80E+06 6.66E+06 8.82E+06 2.30E+06 3.71E+06 4.42E+06 1.37E+06 5224532.804 3102771.202 2638093.684 3581938.171 1771726.593 1013557.683 2777424.877 2590762.237 1384041.551 2780811.771 4204670.683 2268921.693 2754408.125 4451.833386 1121269.073 3893006.515 2388652.815 4800061.655 1119149.414 826750.8311 saccharate 1.75E+07 4.68E+07 2.57E+07 9.60E+06 5.03E+07 3.60E+07 6.22E+06 3.30E+07 1.07E+07 5.07E+06 1.10E+07 1.51E+07 8.79E+06 2.60E+06 2.81E+07 1.59E+06 2.93E+07 3.65E+07 4.04E+07 3.92E+07 3.24E+07 2.15E+07 2.55E+07 17079363.9 22835493.32 32504882.75 9743482.806 27696880.15 20536644.45 23687830.08 19447057.2 12321989.31 11954077.63 51472246 30897383.83 37348241.14 1518644.45 28189853.71 26152298.94 27395566.16 25082328.47 459892.7012 4853922.14 saccharin 1.29E+05 8.58E+04 7.74E+04 5.99E+07 5.29E+06 1.11E+06 2.31E+07 1.06E+08 1.57E+06 1.30E+06 2.00E+06 2.22E+04 3.95E+04 1.78E+04 1.13E+07 2.97E+07 7.44E+06 2.09E+05 2.65E+05 8.66E+06 1.85E+06 1.37E+06 2.56E+05 46232.58927 54400.608 211540.426 201132088.8 290208158.7 2258579.701 143237005.8 142692264 1573563.974 1862021.197 10854.74894 12987.69246 30166.04556 14847396.54 23542794.17 147969.2934 34416843.42 6908056.792 260576.4787 234398.4301 saccharopine 3.92E+07 5.89E+06 5.26E+07 8.48E+07 7.65E+06 2.36E+07 2.28E+07 5.60E+06 6.39E+06 1.12E+07 5.18E+06 9.57E+06 7.94E+06 1.82E+06 5.07E+07 5.12E+06 3.68E+06 7.59E+07 2.54E+07 1.21E+08 5.68E+06 1.01E+07 3.88E+06 12727902.11 11603400.18 10219377.29 22095537.91 4447330.301 29850366.3 3238255.088 13921778.99 6742675.466 5124239.049 33967987.33 15252191.59 24467144.69 817880.4923 1164464.581 55153050.92 35862354.19 87817928.52 3165261.353 1911750.626 salicylate 6.30E+05 1.36E+06 8.08E+05 1.59E+06 3.55E+06 3.10E+06 1.71E+06 9.18E+06 6.36E+06 4.29E+06 6.24E+06 3.05E+06 1.06E+06 2.00E+06 1.15E+07 1.70E+07 3.73E+06 5.99E+06 6.39E+06 4.55E+06 4.28E+07 3.41E+07 2.32E+07 675285.6471 1003053.382 737914.7809 774698.4145 1757277.968 1485822.647 2015834.68 3943708.98 7451256.381 4654506.755 117831.8861 581894.6612 476998.7141 168585735 5100876.752 1472826.575 5884078.555 2054555.611 26007333.95 29519569.79 salicylurate 4.91E+06 4.68E+06 2.90E+06 1.64E+06 6.92E+06 2.10E+06 1.44E+06 3.58E+06 3.00E+08 2.27E+08 2.74E+08 7.17E+05 1.68E+06 1.76E+06 3.75E+05 1.04E+06 2.27E+05 5.92E+05 6.05E+05 8.34E+05 7.17E+07 5.25E+07 3.16E+07 5064433.004 4436700.287 4392559.278 2728153.41 6682215.053 4291102.789 4825037.931 4562853.841 238868545.9 262238675 84858.42843 200251.555 76078.32007 1844115.289 523124.4792 346304.3923 6802700.037 1290725.191 57655077.42 69381741.31 sarcosine 8.22E+07 3.07E+07 5.08E+07 1.46E+07 4.30E+07 4.47E+07 1.45E+07 1.84E+07 4.29E+07 5.16E+07 4.89E+07 2.06E+07 2.73E+07 4.66E+07 3.48E+07 3.79E+07 2.64E+07 6.42E+07 5.07E+07 5.83E+07 4.75E+07 5.14E+07 5.32E+07 17121471.49 18972168.75 19276660.03 18390267.78 25972830.85 36667354.67 9088280.074 12834978.7 58998230.79 64381448.15 15349655.05 22490660.21 23575279.74 73688267.74 50980060.1 102435137.2 19694375.97 15471352.9 45387107.52 40728037.67 sebacate 6.95E+06 1.49E+07 8.14E+06 4.80E+06 1.84E+07 8.16E+06 1.28E+07 2.45E+07 6.61E+06 6.28E+06 7.70E+06 5.21E+06 8.75E+06 2.08E+07 8.64E+06 1.15E+07 5.53E+06 5.47E+06 6.62E+06 1.10E+07 1.37E+07 1.20E+07 1.26E+07 7865182.879 11929558 11738941.96 7289931.916 10264596.96 6798463.81 11695012.83 17609035.69 8968103.232 6877432.242 1256615.401 2203307.523 2472160.944 17196424.44 9635139.415 3107087.063 28582013.75 6317038.868 13368792.45 11114068.17 serine 6.83E+07 4.80E+07 5.04E+07 5.50E+07 5.92E+07 5.01E+07 4.72E+07 6.71E+07 3.98E+07 4.42E+07 4.28E+07 6.16E+07 6.75E+07 1.54E+08 5.53E+07 1.17E+08 3.35E+07 6.42E+07 4.08E+07 5.07E+07 6.24E+07 7.51E+07 8.84E+07 52003950.66 57353192.23 58096994.94 54622973.25 61192704.85 72765858.42 39810588.64 52891830.36 65067886 49156140.81 31185048.01 35181224.92 34631697.21 159742704 68318455.46 58790053.58 81163912.65 40539992.87 175207879.8 140205729.3 S-lactoylglutathione 4.18E+06 5.87E+06 3.93E+06 9.05E+06 3.37E+06 1.90E+06 6.12E+05 1.37E+06 6.54E+05 7.32E+05 9.76E+05 4.14E+06 1.64E+06 2.69E+07 6.97E+06 8.89E+06 1.05E+07 5.31E+06 4.39E+06 3.50E+06 2.89E+06 5.37E+06 1.08E+06 4942940.692 3268301.89 4285353.979 4215459.48 7783678.322 2939997.258 2209958.368 1875964.531 2105010.078 3442242.264 24163707.16 19409944.59 24840146.63 19416780.35 14628900.6 23687551.38 5094115.07 3364029.024 2154418.323 3616436.962 sphingomyelin 3.08E+07 1.48E+08 9.63E+07 2.17E+05 5.10E+07 1.84E+07 4.27E+07 7.78E+06 4.88E+07 3.17E+07 3.00E+07 9.48E+07 1.42E+08 3.19E+07 1.10E+07 2.41E+08 2.22E+07 3.56E+06 4.00E+05 4.81E+06 4.96E+07 5.51E+06 9.64E+07 77164302.36 152914712 107154763.8 17565019.19 91419361.28 47349997.54 15935078.07 1108348.957 64415113.2 36890667.68 28071807.02 48697823.49 33356113.07 83751977.74 11129488.52 30657417.68 4387594.302 1246018.741 76199490.83 46064992.72 stachyose 4.11E+06 4.19E+06 2.85E+06 3.86E+06 3.86E+06 1.74E+07 1.66E+06 1.71E+06 1.39E+06 1.30E+06 1.27E+06 3.84E+06 2.16E+07 1.45E+07 1.03E+07 1.63E+07 4.21E+06 1.56E+07 7.58E+06 1.23E+07 2.48E+07 3.99E+07 1.61E+07 1841912.75 2572300.017 2100414.209 1303292.043 1586343.255 2800992.819 975343.0818 2476165.122 3304484.673 1244097.801 600743.0322 1532890.707 1033998.559 10106658.54 10438053.23 2376289.833 5858622.261 4431479.683 20469334.15 22351714.14 stearate 6.20E+09 1.32E+10 6.11E+09 2.72E+09 1.81E+09 2.15E+09 1.35E+09 3.32E+09 2.30E+08 2.27E+08 4.46E+08 9.32E+09 6.61E+09 1.55E+10 1.75E+09 1.28E+10 9.86E+09 1.84E+09 1.71E+09 2.52E+09 1.05E+09 7.63E+08 1.20E+09 4032548730 3965863207 4073785526 3109657195 6765250387 1306194448 1501846143 1211552607 956851237.8 352301726.4 1751541775 1478287845 2065975925 7499215580 8993849375 585500071.1 2173755437 768222422.9 2027356679 1556254838 stearoylcarnitine 1.61E+08 3.85E+07 1.35E+08 2.26E+08 3.37E+07 6.50E+07 6.40E+07 5.20E+07 5.88E+07 2.40E+08 1.40E+08 1.74E+08 1.83E+08 1.67E+08 1.13E+07 1.12E+08 3.54E+07 1.14E+07 3.42E+07 3.71E+08 5.22E+08 3.09E+08 2.71E+08 467913892.3 415075031.9 352406228.9 388693735.3 297684935.7 699220380.4 264270769.9 490775056.9 362600882.6 260286538 200680147.3 261412697.6 292684403.4 61694326.53 304141457.4 321067671.2 294642209.6 286074071.9 1349273887 1018241288 stearoylethanolamide 2.44E+07 3.70E+07 2.46E+07 8.54E+06 1.07E+07 6.33E+06 4.56E+06 2.28E+07 9.51E+04 8.13E+04 1.41E+05 1.56E+07 2.54E+07 6.64E+07 6.53E+06 2.38E+07 4.02E+07 1.87E+06 9.95E+06 1.12E+07 2.57E+05 7.46E+05 5.14E+05 19824809.1 12517111.77 15536095.35 11905027.6 13561895.8 7223501.088 12761505.19 5739573.128 5295323.933 181998.4767 9037910.436 4742712.247 6926571.728 12703786.48 21206882.47 1757080.862 7751109.769 5424227.949 2222034.245 9983357.625 suberate 1.24E+07 1.84E+07 1.16E+07 5.98E+06 1.68E+07 1.29E+07 1.13E+07 2.77E+07 7.46E+06 7.44E+06 1.18E+07 5.27E+06 8.16E+06 1.81E+07 1.17E+07 1.94E+07 8.84E+06 8.63E+06 1.37E+07 1.32E+07 1.90E+07 1.50E+07 1.48E+07 9601722.115 14853979.76 15788860.7 7758536.625 11558134.59 7881530.74 17075728.88 22822953.17 11763048.2 10076843.82 2107328.12 2721843.011 3153085.253 23850440.53 12515568.11 4528757.865 19485830.38 5939957.643 18295312.18 15139221.53 succinyladenosine 4.39E+06 5.25E+06 2.97E+06 9.69E+05 5.02E+06 3.21E+06 1.84E+06 4.95E+06 7.41E+06 7.83E+06 1.50E+07 8.45E+05 1.99E+06 2.09E+06 3.02E+05 2.18E+06 4.97E+05 6.91E+05 6.75E+05 6.92E+05 3.59E+06 4.34E+06 3.53E+06 20055770.14 29164301.38 31247970.6 11140841.04 28355829.49 11680092.24 14814083.38 10516564.4 27655198.45 33799438.84 11728876.95 5545671.006 11722330.21 886380.8158 1936792.097 17080833.58 2543998.911 1229041.88 5376255.394 2760954.805 succinylcarnitine 9.04E+07 1.25E+08 7.53E+07 5.83E+07 2.39E+08 6.18E+07 1.23E+08 1.79E+08 2.87E+08 1.88E+08 2.08E+08 2.82E+07 4.06E+07 3.82E+07 4.48E+07 4.33E+07 1.19E+08 4.40E+07 6.39E+07 5.56E+07 4.93E+07 8.95E+07 4.57E+07 165415641.6 180109017.8 178767295.7 145574452.7 183159763.4 70181230.43 276479682.6 212723819.6 178754805.3 201092830.9 166255877 148660847.2 150093415.9 35506461.54 29793280.65 65538655.49 61111135.66 82874405.83 51341377.62 34882957.83 targinine 1.15E+07 1.08E+07 9.23E+06 7.43E+06 1.57E+07 1.14E+07 7.52E+06 1.51E+07 1.14E+07 9.51E+06 1.25E+07 1.23E+07 1.92E+07 2.71E+07 7.78E+06 3.02E+07 1.20E+07 1.14E+07 9.44E+06 1.06E+07 1.84E+07 2.37E+07 1.78E+07 8446287.284 6038695.928 6371993.445 5343693.63 6561453.242 6272465.738 9943618.802 8015122.404 11519634.28 12354621.47 11592943.71 7077894.116 6397012.764 27887487.9 18860622.02 12835634.48 13366606.32 8399184.811 28009801.02 30710766.05 tartrate 1.42E+08 1.30E+08 6.50E+07 1.68E+07 1.43E+08 1.09E+08 3.69E+06 4.46E+06 1.41E+08 4.28E+07 1.30E+08 1.83E+07 2.15E+07 3.79E+03 3.55E+06 4.67E+06 4.36E+06 7.82E+06 1.49E+07 1.63E+03 2.56E+07 3.89E+07 1.19E+07 173009251 140421981.4 144480149.4 44916523.58 89122782.9 41095211.07 11726328.99 5811471.622 74569264.69 102519702.1 4234636.181 2920596.655 2595244.942 4451.833386 5690772.386 5840982.239 7910176.818 3543415.652 13786811.42 26668591.74 taurine 1.35E+09 1.82E+09 1.41E+09 5.77E+07 1.69E+09 1.61E+09 7.71E+08 1.78E+09 1.34E+09 9.46E+08 1.18E+09 1.25E+09 2.52E+09 2.13E+09 2.04E+09 2.07E+09 1.06E+09 1.36E+09 1.11E+09 1.18E+09 1.76E+09 1.27E+09 2.28E+09 913676819.1 1275531965 1167857958 288939295.8 1122444985 757455151.3 936522486 760639895.7 1314556303 1003941444 974658482.7 1182748821 1276453807 1287225482 1838887130 779106553.4 1513185950 907013782.3 1469740622 1384605376 testosterone sulfate 5.94E+06 1.35E+07 8.97E+06 6.07E+06 4.56E+07 8.98E+06 5.16E+06 1.05E+07 4.41E+07 1.70E+07 2.59E+07 4.29E+06 1.51E+07 2.69E+07 1.02E+07 2.76E+07 2.66E+06 1.24E+07 3.97E+06 4.21E+06 7.08E+07 4.68E+07 7.23E+07 6568058.271 10457430.84 10076653.32 15392456.24 27765544.84 16105880.44 6847440.632 2569916.692 37064034.86 21466066.25 637962.3296 2293974.406 942454.5412 81148358.98 21627519.78 3921175.292 5997502.117 2180529.296 46921532.73 74246186.32 tetradecenoylcarnitine 5.20E+07 8.96E+07 9.74E+07 3.54E+07 1.01E+08 5.51E+07 1.17E+08 9.83E+07 3.23E+07 1.75E+08 1.33E+08 2.79E+07 2.69E+07 5.27E+07 3.22E+07 1.61E+07 4.77E+07 6.63E+06 4.55E+07 3.06E+07 3.27E+07 3.18E+07 2.75E+07 122406651.8 132040675.2 109232390.3 162001076.9 323980163.4 119463968.1 151888393.9 335316219.2 138332993.9 128539973.9 25960387.35 51777189.19 45071456.94 35657946.56 132349355.9 88241283.63 115003638.9 39864402.02 40808775.8 27438551.32 theobromine 1.23E+07 1.73E+07 1.41E+07 2.45E+07 1.18E+07 1.16E+07 1.28E+07 2.37E+07 2.28E+08 2.01E+08 2.64E+08 1.26E+07 2.20E+07 3.37E+07 4.28E+07 1.25E+08 3.82E+07 4.48E+06 8.89E+06 1.57E+07 5.67E+08 6.63E+08 8.28E+08 8173111.788 9459571.696 12552157.15 26902121.53 48592720.5 7665817.564 13219284.21 17561167.37 304339914.6 226630076.6 2934205.887 6745478.906 5586741.065 142818297.5 103082442.5 6217663.38 22146252.82 8383755.892 893211311.9 666387639.1 thiamine 1.14E+05 7.89E+05 8.30E+04 2.12E+05 7.03E+06 1.27E+06 2.53E+06 5.77E+06 5.87E+06 6.93E+06 7.64E+06 4.87E+04 1.21E+05 2.79E+05 1.75E+06 4.39E+05 1.50E+06 6.19E+05 4.48E+05 8.83E+05 7.32E+05 1.75E+06 1.04E+06 6006716.183 7153761.332 7760074.265 8879601.429 12691342.77 10321883.36 10733105.51 13899385.88 13643311.75 16550490.96 296387.5355 213986.6265 364952.6379 1861038.726 424117.6256 1835019.14 673945.0289 673973.5122 1699317.055 943283.318 thioproline 1.09E+08 1.94E+08 1.24E+08 6.14E+07 2.14E+08 1.07E+08 3.28E+07 1.66E+08 7.33E+07 9.57E+07 8.23E+07 9.85E+07 3.87E+07 8.74E+06 7.46E+07 2.18E+07 1.45E+08 2.29E+08 1.97E+08 1.46E+08 7.72E+07 9.93E+07 1.21E+08 93701137.79 126299757.9 108027402 41930367.93 98557576.52 90887686.08 117878317.2 81388628.73 220304340.2 109251820.4 97050377.07 82135157.27 57077634.98 27033655.19 53519508.41 112614333.1 81306981.83 114493701.5 15308249.46 47768063.8 threonate 8.58E+08 5.58E+08 8.09E+08 3.15E+08 5.45E+08 7.49E+08 3.39E+08 4.27E+08 3.79E+08 4.32E+08 4.15E+08 3.55E+08 7.89E+08 3.20E+08 9.22E+08 5.51E+08 5.81E+08 7.65E+08 5.85E+08 6.02E+08 6.49E+08 6.92E+08 7.35E+08 320216508.8 315406242.7 273593753.9 320822352.1 348904614.4 402234000 388409089.2 390357928.2 377608904.9 414476523.6 181879459.5 137239430 132634569.7 119094466.3 620213945 311981504.2 887697130.7 956713820.9 314556904.6 469267873.7 threonine 5.47E+08 4.05E+08 3.22E+08 8.28E+07 2.77E+08 4.97E+08 2.27E+08 2.70E+08 2.45E+08 2.24E+08 2.31E+08 4.59E+08 9.03E+08 1.05E+09 4.43E+08 1.23E+09 3.52E+08 3.74E+08 4.13E+08 2.67E+08 9.19E+08 8.55E+08 9.70E+08 432352998.4 417917781.1 385677261.5 188642521.7 308271628.7 364919442.3 267207397.7 216222593 322723621.9 270015608.5 227975638.1 229853577 203136329.8 987942015.2 652488363.3 441502455.8 522704392.2 179596388.4 1335878958 1275100390 tiglylcarnitine 3.30E+06 4.66E+06 3.53E+06 1.51E+06 1.63E+07 3.77E+06 5.40E+06 8.41E+06 6.37E+06 7.07E+06 8.89E+06 1.25E+06 1.12E+06 2.24E+06 1.18E+06 2.63E+05 1.49E+06 7.49E+05 2.87E+06 2.52E+06 1.23E+06 1.28E+06 3.13E+05 5103224.494 6627809.336 6875308.072 4678381.744 12946618.24 6435761.363 13411766.6 7932880.585 10234221.61 9730387.224 1304365.228 2095343.525 1919583.472 437327.8593 1524584.145 2028445.649 1766607.077 2190084.989 561498.7746 341799.2209 triethanolamine 1.30E+08 7.88E+07 5.28E+07 1.76E+08 2.21E+08 3.57E+08 1.91E+08 2.17E+08 5.93E+08 6.07E+08 1.09E+09 7.93E+07 1.70E+08 4.31E+08 5.76E+08 5.41E+08 3.42E+08 3.29E+08 2.67E+08 3.85E+08 2.42E+09 1.94E+09 8.17E+08 83015551.57 50781805.69 99090567.85 106841385.3 133046709.7 115623732.5 193399415.5 269207208.9 410201756.2 683983466.4 12548064.61 9970975.014 36456044.37 823044600.1 337435763.3 155005435.4 463190830.9 321310514.4 2490619132 1669309016 triethyl phosphate 6.41E+06 9.74E+06 5.87E+06 2.68E+06 5.89E+06 2.42E+07 7.01E+06 1.88E+07 9.16E+06 7.73E+06 2.38E+07 5.77E+06 8.78E+06 2.56E+07 7.87E+06 1.17E+07 5.59E+06 9.71E+06 1.46E+07 3.00E+07 4.12E+07 3.34E+07 2.20E+07 5809465.222 9599916.453 6762486.216 2600134.211 4307652.41 7517485.408 7679048.611 12214176.96 12246018.81 11557803.56 2408234.683 3212465.076 3619158.911 12536450.96 9755167.844 6661894.046 19659598.31 9921756.137 40197430.07 23380675.4 trigonelline 3.89E+08 3.72E+08 2.09E+08 1.99E+08 4.44E+08 1.32E+08 1.85E+08 6.98E+08 7.72E+08 5.21E+08 8.07E+08 2.53E+08 2.13E+08 1.75E+08 1.28E+08 1.56E+08 1.78E+08 6.29E+07 7.38E+07 7.69E+07 7.40E+07 8.35E+07 6.95E+07 374434284.8 280321355.7 333782890 260096105.4 540424561 192042976.5 608164581.9 605849742.3 545187797.4 816421119.1 296146800.2 266547420.2 285755548.7 131578285 108931385.4 115178577.2 110724550.5 126754885.8 122753241 98424152.89 triisopropanolamine 1.23E+09 1.36E+09 8.78E+08 2.65E+09 4.77E+08 4.83E+08 4.09E+08 7.18E+08 2.45E+09 2.09E+09 2.89E+09 9.69E+08 1.99E+09 7.98E+09 5.64E+09 5.45E+09 2.18E+09 4.46E+08 9.95E+08 1.22E+09 6.35E+09 8.33E+09 3.67E+09 1181534453 553137830.9 518972973.5 921884171.9 1222278891 268480858.3 442056962.2 654843510.6 284320670.2 2887155224 463371008.1 192099507.7 402528456.1 6168298582 3810855487 136884744.7 960315639.3 648111782.2 7226519334 1523327538 tryptophan 4.05E+08 4.58E+08 3.64E+08 1.58E+08 3.46E+08 2.99E+08 1.68E+08 3.02E+08 2.25E+08 2.05E+08 3.61E+08 4.46E+08 5.19E+08 1.14E+09 3.02E+08 6.12E+08 2.64E+08 1.47E+08 3.50E+08 3.57E+08 7.55E+08 1.08E+09 1.04E+09 413203764.6 473081426.1 501105538.7 273306663.9 568721739.4 415364717.4 333607901 339818392.3 479484110.9 410590214.6 270933549 330955454.3 286139581.4 693305056 630515241.9 453990225.6 938524342.9 342752050 1353314258 1035570623 tryptophan betaine 1.49E+08 4.63E+07 8.30E+07 7.19E+06 6.13E+08 8.90E+08 2.76E+07 2.27E+07 3.95E+08 3.93E+08 3.55E+08 1.03E+08 9.68E+07 7.60E+07 2.93E+07 3.29E+07 2.00E+08 1.51E+09 1.99E+09 1.29E+08 1.08E+09 1.58E+09 9.39E+08 42829291.72 31549321.66 30289228.94 6097027.203 9520271.539 452122467.5 25005364.15 26287594.7 428606639.5 400753397.9 196821916.3 163455271.1 86617163.63 28626639.02 77210249.29 1236022653 54600458.71 99995422.91 994329760.3 1046957125 tyrosine 6.44E+07 7.06E+07 5.82E+07 2.44E+07 5.77E+07 4.00E+07 2.96E+07 5.13E+07 4.62E+07 3.68E+07 4.78E+07 8.82E+07 9.95E+07 1.42E+08 5.52E+07 1.25E+08 3.90E+07 7.27E+07 5.29E+07 5.29E+07 1.28E+08 1.54E+08 2.07E+08 77180115.14 103778317 102723159 35339053.83 95105803.79 79406404.86 62442431.34 44670149.94 88642886.26 69321201.58 47159153.01 56610922.41 51327496.08 203125556.9 101013484.2 74411684.4 101626069.8 57899011.14 247021173.9 253469172.7 UDP 5.24E+07 6.34E+07 2.60E+07 2.58E+07 3.45E+07 2.68E+07 3.31E+07 3.63E+07 7.56E+07 2.94E+07 5.49E+07 9.22E+07 1.72E+07 1.51E+06 7.46E+06 2.52E+06 2.57E+07 2.25E+07 1.99E+07 3.86E+06 2.80E+07 1.98E+07 2.96E+07 32488293.55 31133914.49 25566283.72 12352633.93 10243351.83 6907365.706 22300251.85 19776000.63 25943414.62 19256565.06 22736895.31 33744199.55 23230762.08 180055.2186 30549228.07 16145176.1 14181079.51 16416626.55 5001963.25 10538930.97 UMP 1.05E+08 1.34E+08 7.40E+07 1.04E+08 2.48E+08 2.47E+08 9.60E+07 1.72E+08 1.47E+08 1.19E+08 1.08E+08 1.26E+08 7.00E+07 8.99E+06 1.37E+08 8.47E+07 2.43E+08 2.60E+08 1.08E+08 9.44E+07 1.72E+08 1.13E+08 2.02E+08 54895683.56 41306202.97 65230533.19 40395898.31 37047790.05 63528153.53 62440967.77 111430822.8 118033900 70235948.12 16029293.21 21725176.02 17484157.6 6124778.21 156278147.2 63047099.73 127515748.2 72393068.69 35283694.08 77262947.85 undecanedioate 2.10E+06 4.23E+06 2.41E+06 1.76E+06 6.05E+06 4.77E+06 2.69E+06 8.13E+06 1.70E+06 1.80E+06 2.64E+06 2.02E+06 3.08E+06 6.63E+06 4.86E+06 7.50E+06 4.27E+06 3.75E+06 4.75E+06 5.77E+06 6.61E+06 5.47E+06 5.18E+06 1952699.385 2642492.077 2527225.01 1507935.887 2934068.1 2550663.28 3737088.866 5185536.685 2919702.914 1790909.997 788502.216 1278341.308 1491402.382 12565546.88 5212280.731 1791661.587 19132875.8 3733706.111 6453108.457 5200479.235 uracil 6.98E+06 5.07E+06 4.50E+06 5.37E+06 8.33E+06 8.37E+06 3.24E+06 5.47E+06 1.20E+07 5.12E+07 7.41E+07 6.30E+06 9.61E+06 6.51E+06 9.68E+06 8.10E+06 2.30E+07 1.39E+07 1.29E+07 1.47E+07 9.57E+06 1.00E+07 1.48E+07 240139291.1 173044771.4 194935122.9 75416048.93 114642483.8 144768519.5 128028319.5 76013901.81 145550661.5 224617337.3 190056934.6 104750229.3 132741394.4 7547514.329 12063794.82 230512878.7 53291683.9 57677210.59 19421968.53 16610278.45 urate 1.37E+09 1.34E+09 1.00E+09 4.92E+08 8.17E+08 1.19E+09 8.57E+08 6.29E+08 1.12E+09 9.35E+08 1.33E+09 1.70E+09 3.45E+09 4.14E+09 1.45E+09 3.31E+09 7.21E+08 5.80E+08 5.37E+08 1.26E+09 2.40E+09 2.56E+09 2.46E+09 932390408.4 818572180.2 746388472.2 382117128 333641121.6 695094025.1 572809968.6 753387995.8 886913512.6 729527014.5 184686776.2 268896573.9 223453968.2 5299260896 1739540667 440559867.6 1210975288 402107800.8 4518529373 3868353159 ureidopropionate 8.93E+06 8.66E+06 6.97E+06 1.18E+06 7.78E+06 1.18E+07 1.91E+06 5.81E+06 8.54E+06 8.77E+06 1.15E+07 1.51E+07 8.35E+06 4.30E+06 2.31E+06 6.62E+06 1.11E+06 1.40E+07 2.06E+07 3.82E+06 3.57E+07 8.16E+07 5.53E+07 55542359.72 84881545.55 71737175.01 5417543.953 18757355.78 11043361.12 14596385.2 9004566.369 24526787.42 22540692.08 23312341.19 25813726.66 40075161.19 5195605.301 12879154.74 27268178.54 8307445.769 4580726.928 79273758.94 35916684.45 uridine 1.48E+08 8.62E+07 5.40E+07 7.58E+07 1.70E+08 2.29E+08 1.12E+08 9.31E+07 3.41E+08 4.27E+08 6.30E+08 8.19E+07 5.52E+08 1.71E+08 1.62E+08 1.23E+08 3.34E+08 2.18E+08 2.79E+08 5.77E+08 2.14E+08 1.45E+08 1.86E+08 192938008.6 183206041.4 130183791 252338154.3 232262750.5 162419977.5 685706790 394735627.6 471441642.7 575818935.1 229588624 107327590.5 109834855.4 89943796.67 155601333.8 201401481.3 410209673.6 267894927.8 215297950.8 104405418.3 urocanate 3.19E+07 2.39E+07 2.03E+07 2.75E+07 5.17E+07 4.33E+07 3.15E+07 7.31E+07 1.74E+07 1.73E+07 2.04E+07 1.77E+07 1.54E+07 3.59E+07 2.49E+07 1.33E+08 2.09E+07 5.52E+07 3.47E+07 5.53E+07 2.33E+07 2.59E+07 6.75E+07 158182840.3 103189293.4 152455582.7 47946836.99 64261348.15 30976670.46 42391019.61 60500244.18 18854679.92 21200521.24 2067964.614 2940644.217 3345378.444 153009973.4 27160327.05 18451416.82 37138102.79 21340397.89 96896625.77 49471711.6 UTP 4.28E+07 2.61E+07 2.46E+07 4.81E+06 1.24E+07 1.88E+07 2.19E+07 1.33E+07 6.63E+07 1.88E+07 3.85E+07 6.58E+07 6.68E+06 1.32E+06 2.01E+05 7.57E+04 4.64E+06 3.91E+06 2.28E+07 2.14E+06 9.81E+06 6.26E+06 7.88E+06 25914193.62 39066986.69 15850311.56 4373830.517 4506625.311 2333817.205 10341011.28 6446259.878 6427282.979 20666107.96 22646987.92 16212340.46 18803855.25 14690.74896 9498968.871 2935364.087 5076637.299 9869231.35 1011319.788 1154818.03 valerate 6.62E+06 6.59E+06 7.50E+06 4.58E+06 7.30E+06 1.03E+07 7.01E+06 8.38E+06 4.12E+06 5.07E+06 4.22E+06 5.49E+06 8.27E+06 2.02E+07 1.09E+07 1.95E+07 6.34E+06 7.52E+06 5.28E+06 6.31E+06 1.01E+07 9.93E+06 8.50E+06 5443621.182 5351532.048 5325653.828 4619150.198 6010901.957 7243784.611 5177796.441 7343929.839 9015306.692 7762330.337 3161506.563 3062027.599 3719223.351 20845834.6 11659414.53 3966323.591 7496355.878 5753842.995 15902172.66 14612328.24 valine 1.40E+08 1.46E+08 1.05E+08 6.54E+07 1.09E+08 9.82E+07 5.89E+07 6.97E+07 7.55E+07 7.33E+07 8.05E+07 1.17E+08 1.75E+08 2.94E+08 9.72E+07 2.25E+08 7.63E+07 1.31E+08 1.21E+08 8.81E+07 2.45E+08 2.82E+08 3.15E+08 123633765.3 116096663.2 122539559.7 77857191.43 128831142.4 113960467.3 81514724.77 80417918.78 120007005.1 108866723.7 82457946.73 83866300.73 71433695.52 334948278.3 189661054.4 140454710.9 171686537.9 103400155.6 417293117.1 396276960.4 vanillylmandelate 7.37E+07 7.40E+07 5.97E+07 4.34E+07 6.33E+07 2.68E+07 6.01E+06 1.85E+07 3.84E+07 2.31E+07 3.50E+07 4.58E+06 8.06E+06 9.37E+06 4.57E+06 7.47E+06 2.72E+06 2.34E+06 2.16E+06 2.22E+06 5.60E+06 5.78E+06 4.19E+06 88872468.3 97011879.52 125884427.4 86731601.72 111318683.7 29725143.97 38641960.28 32372786.11 23905273.37 34368736.84 414371.1525 478424.529 343411.4646 5665288.669 4155525.113 1305933.751 6653663.449 1712760.147 7650504.719 6615364.662 xanthine 2.36E+07 9.03E+06 1.59E+07 5.19E+07 1.30E+07 3.38E+07 1.12E+07 1.27E+07 1.64E+07 3.86E+07 6.08E+07 7.04E+07 5.63E+07 3.37E+07 1.93E+08 2.88E+08 1.40E+08 5.25E+07 4.99E+07 6.46E+07 4.49E+07 7.08E+07 6.12E+07 229143715.6 160326059.5 146452833.3 52118417.77 72178600.76 126460918.9 143153037.7 84792967.01 152180876.8 118297460.5 288074435.4 186874681.1 215454182.3 120109098.1 138128768 252816840.1 105074714.8 80874402.09 149479458.2 273863725.8 xanthosine 7.34E+06 7.99E+06 5.11E+06 7.72E+06 1.27E+07 6.62E+06 1.03E+06 4.40E+06 1.63E+07 9.51E+06 4.01E+07 3.26E+06 3.93E+06 4.70E+06 4.70E+06 1.09E+07 1.30E+06 1.64E+06 1.83E+06 4.26E+06 5.00E+06 5.54E+06 3.65E+06 62924168.21 60287510.27 60209121.32 30812336.24 65352268.5 53308422.36 35456230.34 13909934.34 68581191.35 66283487.81 29564813.27 21393264.31 34444364.94 6235162.471 8103334.951 45364546.2 8062696.112 3598653.46 6149985.307 9611003.523 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Formula Exact mass Super class Main class Sub class Pubchem CID CHEBI_ID HMDB_ID KEGG_ID INCHI_KEY REFMET_ID 2/3-phosphoglycerate C3H7O7P 185.9929 Organic acids Short-chain acids Short-chain acids RM0013474 a-ketoglutarate C5H6O5 146.0215 Organic acids TCA acids TCA acids 51 30915 HMDB0000208 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N RM0135911 acetylcarnitine C9H17NO4 203.1158 Fatty Acyls Fatty esters Acyl carnitines 18230 86045 HMDB0240771 RDHQFKQIGNGIED-QMMMGPOBSA-N RM0154009 aconitate C6H6O6 174.0164 Organic acids Carboxylic acids Tricarboxylic acids 444212 32806 HMDB0000958 C02341 GTZCVFVGUGFEME-HNQUOIGGSA-N RM0118176 adenosine C10H13N5O4 267.0968 Nucleic acids Purines Purine ribonucleosides 60961 16335 HMDB0000050 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N RM0135870 ADP-ribose C15H23N5O14P2 559.0717 Nucleic acids Purines Purine rNDP 33576 16960 HMDB0001178 C00301 SRNWOUGRCWSEMX-TYASJMOZSA-N RM0156418 Alanine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 5950 16977 HMDB0000161 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N RM0135898 AMP C10H14N5O7P 347.0631 Nucleic acids Purines Purine rNMP 6083 16027 HMDB0000045 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N RM0138921 arginine C6H14N4O2 174.1117 Organic acids Amino acids and peptides Amino acids 6322 16467 HMDB0000517 C00062 ODKSFYDXXFIFQN-BYPYZUCNSA-N RM0135963 aspartate C4H7NO4 133.0375 Organic acids Amino acids and peptides Amino acids 5960 17053 HMDB0000191 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N RM0135905 ATP C10H16N5O13P3 506.9958 Nucleic acids Purines Purine rNTP 5957 15422 HMDB0000538 C00002 ZKHQWZAMYRWXGA-KQYNXXCUSA-N RM0138930 Citrate C6H8O7 192.027 Organic acids TCA acids TCA acids 311 30769 HMDB0000094 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N RM0135884 dihydroxyacetone phosphate C3H7O6P 169.998 Organic acids Short-chain acids Short-chain acids 668 16108 HMDB0001473 C00111 GNGACRATGGDKBX-UHFFFAOYSA-N RM0115777 disaccharide - - - - - - erythritol C4H10O4 122.0579 Carbohydrates Monosaccharides Sugar alcohols 222285 17113 HMDB0002994 C00503 UNXHWFMMPAWVPI-ZXZARUISSA-N RM0136218 erythronate C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids 2781043 37655 HMDB0000613 JPIJQSOTBSSVTP-PWNYCUMCSA-N RM0041611 fumarate C4H4O4 116.011 Organic acids TCA acids TCA acids 444972 18012 HMDB0000134 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N RM0135891 gluconate C6H12O7 196.0583 Carbohydrates Monosaccharides Sugar acids 10690 33198 HMDB0000625 C00257 RGHNJXZEOKUKBD-SQOUGZDYSA-N RM0155944 glucuronate C6H10O7 194.0427 Carbohydrates Monosaccharides Sugar acids 94715 47952 HMDB0000127 C00191 AEMOLEFTQBMNLQ-AQKNRBDQSA-N RM0155912 glutamate C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids 33032 16015 HMDB0000148 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N RM0135893 glutamine C5H10N2O3 146.0691 Organic acids Amino acids and peptides Amino acids 5961 18050 HMDB0000641 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N RM0012560 glyceraldehyde 3-phosphate C3H7O6P 169.998 Organic acids Short-chain acids Short-chain acids 439168 29052 HMDB0001112 C00118 LXJXRIRHZLFYRP-VKHMYHEASA-N RM0118150 glycerate C3H6O4 106.0266 Carbohydrates Monosaccharides Sugar acids 439194 32398 HMDB0000139 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N RM0135902 glycerol 3-phosphate C3H9O6P 172.0137 Organic acids Organic phosphoric acids Organic phosphoric acids 439162 15978 HMDB0000126 C00093 AWUCVROLDVIAJX-GSVOUGTGSA-N RM0160118 glycerol C3H8O3 92.0473 Organic oxygen compounds Alcohols and polyols 1,2-diols 753 17754 HMDB0000131 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N RM0135887 GMP C10H14N5O8P 363.058 Nucleic acids Purines Purine rNMP 135398631 17345 HMDB0001397 C00144 RQFCJASXJCIDSX-UUOKFMHZSA-N RM0033601 guanosine C10H13N5O5 283.0917 Nucleic acids Purines Purine ribonucleosides 135398635 16750 HMDB0000133 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N RM0156423 hexitol C6H14O6 182.079 Carbohydrates Monosaccharides Sugar alcohols 5780 17924 HMDB0000247 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N RM0155940 hexose phosphate - - - - - - glucose C6H12O6 180.0634 Carbohydrates Monosaccharides Hexoses 5793 4167 HMDB0304632 C00031 WQZGKKKJIJFFOK-GASJEMHNSA-N RM0135901 IMP C10H13N4O8P 348.0471 Nucleic acids Purines Purine rNMP 135398640 17202 HMDB0000175 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N RM0000534 inosine C10H12N4O5 268.0808 Nucleic acids Purines Purine ribonucleosides 135398641 17596 HMDB0000195 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N RM0135908 Lactate C3H6O3 90.0317 Organic acids Short-chain acids Short-chain acids 107689 422 HMDB0000190 C00186 JVTAAEKCZFNVCJ-REOHCLBHSA-N RM0135904 malate C4H6O5 134.0215 Organic acids TCA acids TCA acids 222656 30797 HMDB0000156 C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N RM0135894 N-acetylaspartate C6H9NO5 175.0481 Organic acids Amino acids and peptides Amino acids 65065 21547 HMDB0000812 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N RM0136005 N-acetylglutamate C7H11NO5 189.0637 Organic acids Amino acids and peptides Amino acids 70914 17533 HMDB0001138 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N RM0136738 orotate C5H4N2O4 156.0171 Nucleic acids Pyrimidines Pyrimidine carboxylic acids 967 16742 HMDB0000226 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N RM0033030 orotidine C10H12N2O8 288.0594 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 92751 25722 HMDB0000788 C01103 FKCRAVPPBFWEJD-XVFCMESISA-N RM0136002 pentitol C5H12O5 152.0685 Carbohydrates Monosaccharides Sugar alcohols 94154 18333 HMDB0000568 C01904 HEBKCHPVOIAQTA-QWWZWVQMSA-N RM0135975 pentose phosphate - - - - - - phosphoenolpyruvate C3H5O6P 167.9824 Organic acids Short-chain acids Short-chain acids 1005 44897 HMDB0000263 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N RM0060576 Proline C5H9NO2 115.0633 Organic acids Amino acids and peptides Amino acids 145742 17203 HMDB0000162 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N RM0135899 propionylcarnitine C10H19NO4 217.1314 Fatty Acyls Fatty esters Acyl carnitines 188824 53210 HMDB0062514 C03017 UFAHZIUFPNSHSL-MRVPVSSYSA-N RM0154041 pyroglutamate C5H7NO3 129.0426 Organic acids Amino acids and peptides Amino acids 7405 18183 HMDB0000267 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N RM0135924 S-adenosylhomocysteine C14H20N6O5S 384.1216 Nucleic acids Purines Other purines 439155 16680 HMDB0000939 C00021 ZJUKTBDSGOFHSH-WFMPWKQPSA-N RM0136025 S-adenosylmethionine C15H23N6O5S 399.1451 Nucleic acids Purines Other purines 34756 15414 HMDB0001185 C00019 MEFKEPWMEQBLKI-AIRLBKTGSA-O RM0138941 sedoheptulose 7-phosphate C7H15O10P 290.0403 Carbohydrates Monosaccharides Monosaccharide phosphates 165007 15721 HMDB0258206 C05382 JDTUMPKOJBQPKX-GBNDHIKLSA-N RM0155901 Succinate C4H6O4 118.0266 Organic acids TCA acids TCA acids 1110 15741 HMDB0000254 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N RM0134982 UDP-GlcNac C17H27N3O17P2 607.0816 Nucleic acids Pyrimidines Pyrimidine rNDP 445675 16264 HMDB0000290 C00043 LFTYTUAZOPRMMI-CFRASDGPSA-N RM0133219 UDP-glucose C15H24N2O17P2 566.055 Nucleic acids Pyrimidines Pyrimidine rNDP 53477679 167608 HMDB0000286 C00029 HSCJRCZFDFQWRP-LPTOLDDLSA-N RM0135928 UDP-glucuronate C15H22N2O18P2 580.0343 Nucleic acids Pyrimidines Pyrimidine rNDP 17473 17200 HMDB0000935 C00167 HDYANYHVCAPMJV-LXQIFKJMSA-N RM0157921 1,11-undecanedicarboxylate C13H24O4 244.1675 Fatty Acyls Fatty acids Dicarboxylic acids 10458 73718 HMDB0002327 DXNCZXXFRKPEPY-UHFFFAOYSA-N RM0150351 1,5-anhydrosorbitol C6H12O5 164.0685 Carbohydrates Monosaccharides Hexoses 64960 16070 HMDB0002712 C07326 MPCAJMNYNOGXPB-SLPGGIOYSA-N RM0028221 1,5-naphthalenediamine C10H10N2 158.0844 Benzenoids Naphthalenes Naphthalenes 16720 53003 HMDB0244231 KQSABULTKYLFEV-UHFFFAOYSA-N RM0005492 10-hydroxydecanoate C10H20O3 188.1412 Fatty Acyls Fatty acids Hydroxy FA 74300 17409 HMDB0244272 C02774 YJCJVMMDTBEITC-UHFFFAOYSA-N RM0153657 11-eicosenoate - - - - - - 14(Z)-Eicosenoate - - - - - - 16-hydroxyhexadecanoate - - - - - - 1-aminocyclopropanecarboxylate C4H7NO2 101.0477 Organic acids Amino acids and peptides Amino acids 535 18053 HMDB0036458 C01234 PAJPWUMXBYXFCZ-UHFFFAOYSA-N RM0136686 1-methyladenosine C11H15N5O4 281.1124 Nucleic acids Purines Purine ribonucleosides 27476 16020 HMDB0003331 C02494 GFYLSDSUCHVORB-IOSLPCCCSA-N RM0156409 1-methylnicotinamide C7H9N2O 137.0715 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 457 16797 HMDB0000699 C02918 LDHMAVIPBRSVRG-UHFFFAOYSA-O RM0030166 1-methylurate C6H6N4O3 182.044 Nucleic acids Purines Xanthines 69726 68441 HMDB0003099 C16359 QFDRTQONISXGJA-UHFFFAOYSA-N RM0049869 2-(tert-butyl)-1,3-thiazolane-4-carboxylate - - - - - - 2,2,6,6-tetramethyl-4-piperidinol - - - - - - 2,5-di-tert-Butylhydroquinone - - - - - - 2-aminocaprylate - - - - - - 2-ethylhydracrylate - - - - - - 2-furoic acid C5H4O3 112.016 Organoheterocyclic compounds Furoic acids Furoic acid derivatives 6919 30845 HMDB0000617 C01546 SMNDYUVBFMFKNZ-UHFFFAOYSA-N RM0118189 2-hydroxyglutarate C5H8O5 148.0372 Fatty Acyls Fatty acids Dicarboxylic acids 43 17084 HMDB0059655 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N RM0153554 2-hydroxyhippurate - - - - - - 2-hydroxymyristate C14H28O3 244.2038 Fatty Acyls Fatty acids Hydroxy FA 1563 59270 HMDB0002261 JYZJYKOZGGEXSX-UHFFFAOYSA-N RM0153127 2-methyl-3-hydroxybutyrate C5H10O3 118.063 Fatty Acyls Fatty acids Hydroxy FA 160471 37051 HMDB0000354 VEXDRERIMPLZLU-UHFFFAOYSA-N RM0153674 2-octenedioate - - - - - - 2-tert-butyl-4-ethylphenol - - - - - - 3,4-dihydroxybenzenesulfonate - - - - - - 3,5-di-tert-Butyl-4-hydroxybenzaldehyde C15H22O2 234.162 Benzenoids Benzaldehydes Hydroxybenzaldehydes 73219 HMDB0240643 DOZRDZLFLOODMB-UHFFFAOYSA-N RM0188446 3-hydroxydecanedioate - - - - - - 3-hydroxydecanoate C10H20O3 188.1412 Fatty Acyls Fatty acids Hydroxy FA 26612 132983 HMDB0002203 FYSSBMZUBSBFJL-UHFFFAOYSA-N RM0138800 3-hydroxydodecanoate - - - - - - 3-hydroxydodecanoylcarnitine C19H37NO5 359.2672 Fatty Acyls Fatty esters Acyl carnitines RM0153951 3-hydroxyhexadecanoylcarnitine C23H45NO5 415.3298 Fatty Acyls Fatty esters Acyl carnitines 126456228 73070 HMDB0013336 XKAZIAFZAQAHHG-BPGUCPLFSA-N RM0160039 3-hydroxyhippurate C9H9NO4 195.0532 Benzenoids Benzamides Hippuric acids 450268 70824 HMDB0006116 XDOFWFNMYJRHEW-UHFFFAOYSA-N RM0136303 3-hydroxykynurenine C10H12N2O4 224.0797 Organic acids Amino acids and peptides Amino acids 11811 17380 HMDB0011631 C03227 VCKPUUFAIGNJHC-LURJTMIESA-N RM0132211 3-hydroxy-N6,N6,N6-trimethyllysine C9H21N2O3 205.1552 Organic acids Amino acids and peptides Amino acids 439460 15786 HMDB0001422 C01259 ZRJHLGYVUCPZNH-MQWKRIRWSA-O RM0136098 4-acetamidophenylglucuronide C14H17NO8 327.0954 Carbohydrates Monosaccharides Sugar acids 83944 32636 HMDB0010316 IPROLSVTVHAQLE-BYNIDDHOSA-N RM0136324 4-aminohippurate C9H10N2O3 194.0691 Benzenoids Benzamides Hippuric acids 2148 104011 HMDB0001867 D06890 HSMNQINEKMPTIC-UHFFFAOYSA-N RM0136122 4-dodecylbenzenesulfonate C18H30O3S 326.1916 Benzenoids Benzenes Benzenesulfonic acids 8485 149776 HMDB0059915 KWXICGTUELOLSQ-UHFFFAOYSA-N RM0137479 4-ethoxyethylbenzoate - - - - - - 4-guanidinobutanoate C5H11N3O2 145.0851 Organic nitrogen compounds Guanidines Guanidines 500 86564 HMDB0003464 C01035 TUHVEAJXIMEOSA-UHFFFAOYSA-N RM0128522 4-hydroxy-3-methoxyphenylglycol sulfate - - - - - - 4-hydroxyphenyllactate C9H10O4 182.0579 Organic acids Phenylpropanoids Cinnamic acids 9378 17385 HMDB0000755 C03672 JVGVDSSUAVXRDY-UHFFFAOYSA-N RM0044554 4-hydroxyphenylpyruvate C9H8O4 180.0423 Organic acids Phenylpropanoids Cinnamic acids 979 15999 HMDB0000707 C01179 KKADPXVIOXHVKN-UHFFFAOYSA-N RM0020531 4-hydroxyproline C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids 440015 28397 HMDB0240251 C01015 PMMYEEVYMWASQN-IMJSIDKUSA-N RM0021808 4-imidazoleacetate C5H6N2O2 126.0429 Alkaloids Histidine alkaloids Imidazole alkaloids 96215 16974 HMDB0002024 C02835 PRJKNHOMHKJCEJ-UHFFFAOYSA-N RM0009104 4-phenolsulfonate - - - - - - 4-pyridoxate C8H9NO4 183.0532 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 6723 17405 HMDB0000017 C00847 HXACOUQIXZGNBF-UHFFFAOYSA-N RM0030084 5,5-dimethylhydantoin - - - - - - 5,6-dimethylbenzimidazole C9H10N2 146.0844 Organoheterocyclic compounds Benzimidazoles Benzimidazoles 675 15890 HMDB0003701 C03114 LJUQGASMPRMWIW-UHFFFAOYSA-N RM0118192 5-aminolevulinate C5H9NO3 131.0582 Fatty Acyls Fatty acids Amino FA 137 17549 HMDB0001149 C00430 ZGXJTSGNIOSYLO-UHFFFAOYSA-N RM0153225 5-dodecenoate C12H22O2 198.162 Fatty Acyls Fatty acids Unsaturated FA 5312378 86595 HMDB0000529 IJBFSOLHRKELLR-FPLPWBNLSA-N RM0153633 5-hydroxylysine C6H14N2O3 162.1004 Organic acids Amino acids and peptides Amino acids 3032849 18040 HMDB0000450 C16741 YSMODUONRAFBET-UHNVWZDZSA-N RM0135950 6-phosphogluconate C6H13O10P 276.0246 Carbohydrates Monosaccharides Hexose phosphates 91493 48928 HMDB0001316 C00345 BIRSGZKFKXLSJQ-SQOUGZDYSA-N RM0155882 7alpha-hydroxy-3-oxo-4-cholestenoate C27H42O4 430.3083 Sterol Lipids Bile acids C27 Bile acids 193493 88109 HMDB0062744 CFLVYJJIZHNITM-NLXMLWGDSA-N RM0138912 7-methylguanine C6H7N5O 165.0651 Nucleic acids Purines Hypoxanthines 135398679 28664 HMDB0000897 C02242 FZWGECJQACGGTI-UHFFFAOYSA-N RM0156417 acesulfame C4H5NO4S 162.9939 Organic acids Organic sulfuric acids Organic sulfuric acids 36573 83501 HMDB0033585 YGCFIWIQZPHFLU-UHFFFAOYSA-N RM0115769 acetylarginine C8H16N4O3 216.1222 Organic acids Amino acids and peptides Amino acids 67427 40521 HMDB0004620 SNEIUMQYRCDYCH-LURJTMIESA-N RM0132228 acetyl-beta-methylcholine C8H18NO2 160.1338 Organic nitrogen compounds Cholines Acyl cholines 1993 6804 HMDB0015654 C07471 NZWOPGCLSHLLPA-UHFFFAOYSA-N RM0042762 acetylcholine C7H16NO2 146.1181 Organic nitrogen compounds Cholines Acyl cholines 187 15355 HMDB0000895 C01996 OIPILFWXSMYKGL-UHFFFAOYSA-N RM0041817 acetyl-CoA C23H38N7O17P3S 809.1258 Fatty Acyls Fatty esters Acyl CoAs 444493 15351 HMDB0001206 C00024 ZSLZBFCDCINBPY-ZSJPKINUSA-N RM0073686 acetylserine C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids 99478 17981 HMDB0003011 C00979 VZXPDPZARILFQX-BYPYZUCNSA-N RM0012948 adenine C5H5N5 135.0545 Nucleic acids Purines Aminopurines 190 16708 HMDB0000034 C00147 GFFGJBXGBJISGV-UHFFFAOYSA-N RM0049281 adenylosuccinate C14H18N5O11P 463.074 Nucleic acids Purines Purine rNMP 447145 15919 HMDB0000536 C03794 OFBHPPMPBOJXRT-VWJPMABRSA-N RM0137319 adipoylcarnitine C13H23NO6 289.1525 Fatty Acyls Fatty esters Acyl carnitines 71296139 68568 HMDB0061677 BSVHAXJKBCWVDA-UHFFFAOYSA-N RM0154030 ADP C10H15N5O10P2 427.0294 Nucleic acids Purines Purine rNDP 6022 16761 HMDB0001341 C00008 XTWYTFMLZFPYCI-KQYNXXCUSA-N RM0032913 allantoin C4H6N4O3 158.044 Organoheterocyclic compounds Cyclic ureas Ureides 439714 15678 HMDB0000462 POJWUDADGALRAB-SFOWXEAESA-N RM0118303 aminoadipate C6H11NO4 161.0688 Organic acids Amino acids and peptides Amino acids RM0049220 Amoxicillin C16H19N3O5S 365.1045 Organoheterocyclic compounds Beta lactams Penicillins 33613 2676 HMDB0015193 C06827 LSQZJLSUYDQPKJ-NJBDSQKTSA-N RM0138997 androsterone glucuronide C25H38O8 466.2567 Sterol Lipids Steroids C19 Steroids 114833 28832 HMDB0002829 C11135 VFUIRAVTUVCQTF-BSOWLZGZSA-N RM0135838 anserine C10H16N4O3 240.1222 Organic acids Amino acids and peptides Dipeptides 112072 18323 HMDB0000194 C01262 MYYIAHXIVFADCU-QMMMGPOBSA-N RM0135907 arachidate C20H40O2 312.3028 Fatty Acyls Fatty acids Saturated FA 10467 28822 HMDB0002212 C06425 VKOBVWXKNCXXDE-UHFFFAOYSA-N RM0137828 arachidonate C20H32O2 304.2402 Fatty Acyls Fatty acids Unsaturated FA 444899 15843 HMDB0001043 C00219 YZXBAPSDXZZRGB-DOFZRALJSA-N RM0153612 arachidonoylcarnitine C31H54NO4 504.4053 Fatty Acyls Fatty esters Acyl carnitines RM0154159 argininosuccinate C10H18N4O6 290.1226 Organic acids Amino acids and peptides Amino acids 16950 184023 HMDB0000052 C03406 KDZOASGQNOPSCU-WDSKDSINSA-N RM0135871 asparagine C4H8N2O3 132.0535 Organic acids Amino acids and peptides Amino acids 6267 17196 HMDB0000168 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N RM0135724 asparaginyl-lysine C10H20N4O4 260.1485 Organic acids Amino acids and peptides Dipeptides 16122521 157797 HMDB0028736 QJMCHPGWFZZRID-BQBZGAKWSA-N RM0137511 benzaldehyde C7H6O 106.0419 Benzenoids Benzenes Hydroxybenzoic acids 240 17169 HMDB0006115 C00193 HUMNYLRZRPPJDN-UHFFFAOYSA-N RM0020356 beta-alanine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 239 16958 HMDB0000056 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N RM0021629 beta-Asp-Gly C6H10N2O5 190.059 Organic acids Amino acids and peptides Dipeptides 99717 137261 ZTEDWFWBGPKUOD-VKHMYHEASA-N RM0188786 beta-citrylglutamate C11H15NO10 321.0696 Organic acids Amino acids and peptides Amino acids 21125622 77065 HMDB0013220 GAQNUGISBQJMKO-UHFFFAOYSA-N RM0132229 betaine C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 247 17750 HMDB0000043 KWIUHFFTVRNATP-UHFFFAOYSA-N RM0135869 Bis(2-ethylhexyl) amine - - - - - - Bupivacaine - - - - - - C4-carnitine C11H21NO4 231.1471 Fatty Acyls Fatty esters Acyl carnitines 213144 21949 HMDB0002013 C02862 QWYFHHGCZUCMBN-SECBINFHSA-N RM0153847 C5-carnitine C12H23NO4 245.1627 Fatty Acyls Fatty esters Acyl carnitines 53481619 165624 HMDB0013128 VSNFQQXVMPSASB-JTQLQIEISA-N RM0154185 caffeine C8H10N4O2 194.0804 Nucleic acids Purines Xanthines 2519 27732 HMDB0001847 C07481 RYYVLZVUVIJVGH-UHFFFAOYSA-N RM0032992 Caprolactam C6H11NO 113.0841 Organoheterocyclic compounds Caprolactams Caprolactams 7768 28579 HMDB0062769 C06593 JBKVHLHDHHXQEQ-UHFFFAOYSA-N RM0136896 carbamoylphosphate CH4NO5P 140.9827 Organic acids Organic phosphoric acids Organic phosphoric acids 278 17672 HMDB0001096 C00169 FFQKYPRQEYGKAF-UHFFFAOYSA-N RM0136057 carnitinamide - - - - - - carnosine C9H14N4O3 226.1066 Organic acids Amino acids and peptides Dipeptides 439224 15727 HMDB0000033 C00386 CQOVPNPJLQNMDC-ZETCQYMHSA-N RM0135868 CDP C9H15N3O11P2 403.0182 Nucleic acids Pyrimidines Pyrimidine rNDP 6132 17239 HMDB0001546 C00112 ZWIADYZPOWUWEW-XVFCMESISA-N RM0138946 CDP-ethanolamine C11H20N4O11P2 446.0604 Nucleic acids Pyrimidines Pyrimidine rNDP 123727 16732 HMDB0001564 C00570 WVIMUEUQJFPNDK-PEBGCTIMSA-N RM0043519 Cetrimonium - - - - - - choline C5H14NO 104.1075 Organic nitrogen compounds Cholines Cholines 305 15354 HMDB0000097 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N RM0028739 cinnamate C9H8O2 148.0524 Organic acids Phenylpropanoids Cinnamic acids 444539 35697 HMDB0000930 C00423 WBYWAXJHAXSJNI-VOTSOKGWSA-N RM0159952 citicoline C14H26N4O11P2 488.1073 Nucleic acids Pyrimidines Pyrimidine rNDP 13804 16436 HMDB0001413 C00307 RZZPDXZPRHQOCG-OJAKKHQRSA-N RM0136097 citrulline C6H13N3O3 175.0957 Organic acids Amino acids and peptides Amino acids 9750 16349 HMDB0000904 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N RM0136022 CMP C9H14N3O8P 323.0519 Nucleic acids Pyrimidines Pyrimidine rNMP 6131 17361 HMDB0000095 C00055 IERHLVCPSMICTF-XVFCMESISA-N RM0138923 CMP-2-aminoethylphosphonate C11H20N4O10P2 430.0655 Organic oxygen compounds Organooxygen compounds Organooxygen compounds 440754 3276 HMDB0060067 C05673 FBADRUOBFLBKJQ-PEBGCTIMSA-N RM0157961 CMP-N-Acetylneuraminate C20H31N4O16P 614.1473 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 448209 16556 HMDB0001176 C00128 TXCIAUNLDRJGJZ-BILDWYJOSA-N RM0138940 Coenzyme A C21H36N7O16P3S 767.1152 Nucleic acids Purines Other purines 87642 15346 HMDB0001423 C00010 RGJOEKWQDUBAIZ-IBOSZNHHSA-N RM0157849 cortisol C21H30O5 362.2093 Sterol Lipids Steroids C21 Steroids 5754 17650 HMDB0000063 C00735 JYGXADMDTFJGBT-VWUMJDOOSA-N RM0135767 Cortisone C21H28O5 360.1937 Sterol Lipids Steroids C21 Steroids 222786 16962 HMDB0002802 C00762 MFYSYFVPBJMHGN-ZPOLXVRWSA-N RM0128363 creatine C4H9N3O2 131.0695 Organic acids Amino acids and peptides Amino acids 586 16919 HMDB0000064 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N RM0135876 creatinine C4H7N3O 113.0589 Organoheterocyclic compounds Azoles Imidazolines 137319715 16737 HMDB0000562 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N RM0028430 Cuminaldehyde C10H12O 148.0888 Prenol Lipids Isoprenoids C10 isoprenoids 326 28671 HMDB0002214 C06577 WTWBUQJHJGUZCY-UHFFFAOYSA-N RM0027757 cyclic ADP-ribose C15H21N5O13P2 541.0611 Nucleic acids Purines Purine ribonucleosides 123847 31445 HMDB0249529 BQOHYSXSASDCEA-KEOHHSTQSA-N RM0157863 cyclic AMP C10H12N5O6P 329.0525 Nucleic acids Purines Purine rNMP 6076 17489 HMDB0000058 C00575 IVOMOUWHDPKRLL-KQYNXXCUSA-N RM0135874 cystathionine C7H14N2O4S 222.0674 Organic acids Amino acids and peptides Amino acids 439258 17482 HMDB0000099 C02291 ILRYLPWNYFXEMH-WHFBIAKZSA-N RM0135885 cysteate C3H7NO5S 169.0045 Organic acids Amino acids and peptides Amino acids 72886 17285 HMDB0303991 C00506 XVOYSCVBGLVSOL-REOHCLBHSA-N RM0052704 cysteine-S-sulfate C3H7NO5S2 200.9766 Organic acids Amino acids and peptides Amino acids 115015 27891 HMDB0000731 C05824 NOKPBJYHPHHWAN-REOHCLBHSA-N RM0041317 cysteinylglycine C5H10N2O3S 178.0412 Organic acids Amino acids and peptides Dipeptides 439498 4047 HMDB0000078 C01419 ZUKPVRWZDMRIEO-VKHMYHEASA-N RM0137513 cystine C6H12N2O4S2 240.0239 Organic acids Amino acids and peptides Amino acids 67678 16283 HMDB0000192 C00491 LEVWYRKDKASIDU-IMJSIDKUSA-N RM0135906 cytidine C9H13N3O5 243.0855 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6175 17562 HMDB0000089 C00475 UHDGCWIWMRVCDJ-XVFCMESISA-N RM0138922 Decanamide C10H21NO 171.1623 Fatty Acyls Fatty amides Primary amides 75347 38833 TUTWLYPCGCUWQI-UHFFFAOYSA-N RM0150492 decanoate C10H20O2 172.1463 Fatty Acyls Fatty acids Saturated FA 2969 30813 HMDB0000511 C01571 GHVNFZFCNZKVNT-UHFFFAOYSA-N RM0153468 decanoylcarnitine C17H33NO4 315.241 Fatty Acyls Fatty esters Acyl carnitines 11953821 28717 HMDB0000651 C03299 LZOSYCMHQXPBFU-OAHLLOKOSA-N RM0153849 DEET C12H17NO 191.131 Benzenoids Benzamides Benzamides 4284 7071 HMDB0250930 C10935 MMOXZBCLCQITDF-UHFFFAOYSA-N RM0040412 deoxycarnitine C7H15NO2 145.1103 Fatty Acyls Fatty esters Acyl carnitines 725 16244 HMDB0001161 C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-N RM0136342 deoxycholate C24H40O4 392.2927 Sterol Lipids Bile acids C24 Bile acids 222528 28834 HMDB0000626 C04483 KXGVEGMKQFWNSR-LLQZFEROSA-N RM0126048 deoxycytidine C9H13N3O4 227.0906 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides 13711 15698 HMDB0000014 C00881 CKTSBUTUHBMZGZ-SHYZEUOFSA-N RM0040741 diacetylspermine C14H30N4O2 286.2369 Alkaloids Ornithine alkaloids Polyamines 132680 28101 HMDB0002172 C03413 NPDTUDWGJMBVEP-UHFFFAOYSA-N RM0040292 Dibutyl phthalate C16H22O4 278.1518 Benzenoids Benzenes Phthalate esters 3026 34687 HMDB0033244 C14214 DOIRQSBPFJWKBE-UHFFFAOYSA-N RM0108901 Didecyldimethylammonium - - - - - - diethanolamine C4H11NO2 105.079 Organic nitrogen compounds Amines 1,2-aminoalcohols 8113 28123 HMDB0004437 C06772 ZBCBWPMODOFKDW-UHFFFAOYSA-N RM0118142 dihydrobiopterin C9H13N5O3 239.1018 Organoheterocyclic compounds Pterins Biopterins 135398653 43120 HMDB0002215 C00268 ZHQJVZLJDXWFFX-RPDRRWSUSA-N RM0136173 dihydroorotate C5H6N2O4 158.0328 Organic acids Amino acids and peptides Amino acids 1149667 30866 HMDB0000528 UFIVEPVSAGBUSI-UWTATZPHSA-N RM0132232 dihydrouracil C4H6N2O2 114.0429 Nucleic acids Pyrimidines Other pyrimidines 649 15901 HMDB0000076 C00429 OIVLITBTBDPEFK-UHFFFAOYSA-N RM0135879 Dinoterb - - - - - - dipalmitoylphosphatidylcholine C40H80NO8P 733.5622 Glycerophospholipids Glycerophosphocholines PC 452110 72999 HMDB0000564 C00157 KILNVBDSWZSGLL-KXQOOQHDSA-N RM0135046 Dodecanedioate C12H22O4 230.1518 Fatty Acyls Fatty acids Dicarboxylic acids 12736 4676 HMDB0000623 C02678 TVIDDXQYHWJXFK-UHFFFAOYSA-N RM0153694 dodecenoylcarnitine C19H35NO4 341.2566 Fatty Acyls Fatty esters Acyl carnitines RM0154155 dodecyl sulfate C17H26N8O5 422.2026 Carbohydrates Monosaccharides Sugar acids 439625 182497 HMDB0030452 C02010 CXNPLSGKWMLZPZ-LBLJTAPMSA-N RM0139030 dTMP C10H15N2O8P 322.0566 Nucleic acids Pyrimidines Pyrimidine dNMP 9700 17013 HMDB0001227 C00364 GYOZYWVXFNDGLU-XLPZGREQSA-N RM0156978 Ecgonine C9H15NO3 185.1052 Alkaloids Ornithine alkaloids Tropane alkaloids 91460 4743 HMDB0006548 C10858 PHMBVCPLDPDESM-FKSUSPILSA-N RM0013096 eicosapentaenoate C20H30O2 302.2246 Fatty Acyls Fatty acids Unsaturated FA RM0151646 Ephedrine C10H15NO 165.1154 Benzenoids Benzenes Phenylpropanes 9294 15407 HMDB0015451 C01575 KWGRBVOPPLSCSI-WPRPVWTQSA-N RM0022688 epsilon-(gamma-glutamyl)lysine C11H21N3O5 275.1481 Organic acids Amino acids and peptides Dipeptides 7015685 88494 HMDB0003869 JPKNLFVGUZRHOB-YUMQZZPRSA-N RM0136244 ergothioneine C9H15N3O2S 229.0885 Organic acids Amino acids and peptides Amino acids 5351619 4828 HMDB0003045 C05570 SSISHJJTAXXQAX-ZETCQYMHSA-N RM0132145 erucate C22H42O2 338.3185 Fatty Acyls Fatty acids Unsaturated FA 5281116 28792 HMDB0002068 C08316 DPUOLQHDNGRHBS-KTKRTIGZSA-N RM0153624 esomeprazole C17H19N3O3S 345.1147 Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles 9579578 77262 HMDB0014874 SUBDBMMJDZJVOS-XMMPIXPASA-N RM0053150 ferulate 4-sulfate - - - - - - flavin adenine dinucleotide C27H33N9O15P2 785.1571 Nucleic acids Flavins Flavin nucleotides 643975 16238 HMDB0001248 C00016 VWWQXMAJTJZDQX-UYBVJOGSSA-N RM0138943 flavin mononucleotide C17H21N4O9P 456.1046 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 643976 17621 HMDB0001520 C00061 FVTCRASFADXXNN-SCRDCRAPSA-N RM0136109 formiminoglutamate C6H10N2O4 174.0641 Organic acids Amino acids and peptides Amino acids 439233 7274 HMDB0000854 C00439 NRXIKWMTVXPVEF-BYPYZUCNSA-N RM0136010 gamma-glutamylalanine C8H14N2O5 218.0903 Organic acids Amino acids and peptides Dipeptides 440103 50619 HMDB0006248 C03740 WQXXXVRAFAKQJM-WHFBIAKZSA-N RM0136304 gamma-glutamylcysteine C8H14N2O5S 250.0623 Organic acids Amino acids and peptides Dipeptides 123938 17515 HMDB0001049 C00669 RITKHVBHSGLULN-WHFBIAKZSA-N RM0136036 gamma-glutamylglutamate C10H16N2O7 276.0958 Organic acids Amino acids and peptides Dipeptides 92865 73705 HMDB0011737 C05282 OWQDWQKWSLFFFR-WDSKDSINSA-N RM0043083 gamma-glutamylglycine C7H12N2O5 204.0746 Organic acids Amino acids and peptides Dipeptides 165527 73845 HMDB0011667 ACIJGUBIMXQCMF-BYPYZUCNSA-N RM0043089 gamma-glutamylproline - - - - - - GDP C10H15N5O11P2 443.0243 Nucleic acids Purines Purine rNDP 135398619 17552 HMDB0001201 C00035 QGWNDRXFNXRZMB-UUOKFMHZSA-N RM0033168 GDP-fucose C16H25N5O15P2 589.0822 Nucleic acids Purines Purine rNDP 135412609 17009 HMDB0001095 C00325 LQEBEXMHBLQMDB-QIXZNPMTSA-N RM0157860 GDP-hexose C16H25N5O16P2 605.0772 Nucleic acids Purines Purine rNDP 135398627 15820 HMDB0001163 C00096 MVMSCBBUIHUTGJ-GDJBGNAASA-N RM0157861 glucosamine 6-phosphate C6H14NO8P 259.0457 Carbohydrates Monosaccharides Amino sugars 439217 15873 HMDB0001254 C00352 XHMJOUIAFHJHBW-UKFBFLRUSA-N RM0136090 glutarylcarnitine C12H21NO6 275.1369 Fatty Acyls Fatty esters Acyl carnitines 71317118 165628 HMDB0013130 NXJAXUYOQLTISD-SECBINFHSA-N RM0153962 glutathione reduced C10H17N3O6S 307.0838 Organic acids Amino acids and peptides Tripeptides 124886 16856 HMDB0000125 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N RM0135889 glycerol 2-phosphate C3H9O6P 172.0137 Organic acids Phosphate esters Monoalkyl phosphates 2526 17270 HMDB0002520 C02979 DHCLVCXQIBBOPH-UHFFFAOYSA-N RM0136192 glycerophosphocholine C8H20NO6P 257.1028 Organic acids Organic phosphoric acids Organic phosphoric acids 657272 16870 HMDB0000086 SUHOQUVVVLNYQR-MRVPVSSYSA-N RM0110472 glycerophosphoethanolamine C5H14NO6P 215.0559 Organic acids Organic phosphoric acids Organic phosphoric acids 444183 143890 HMDB0000114 C01233 JZNWSCPGTDBMEW-RXMQYKEDSA-N RM0157553 glycerophosphoinositol C9H19O11P 334.0665 Organic oxygen compounds Alcohols and polyols Inositols 45480545 18321 HMDB0011649 C01225 BMVUIWJCUQSHLZ-UJGXJMNGSA-N RM0157135 glycerophospho-N-palmitoyl ethanolamine C21H44NO7P 453.2855 Fatty Acyls Fatty amides NAE 91666401 143245 FIXMIXZULLAMCB-HXUWFJFHSA-N RM0074195 glycine C2H5NO2 75.032 Organic acids Amino acids and peptides Amino acids 750 15428 HMDB0000123 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N RM0135888 glycocholate C26H43NO6 465.309 Sterol Lipids Bile acids C24 Bile acids 10140 17687 HMDB0000138 C01921 RFDAIACWWDREDC-FRVQLJSFSA-N RM0135849 glycodeoxycholate C26H43NO5 449.3141 Sterol Lipids Bile acids C24 Bile acids 3035026 27471 HMDB0000631 C05464 WVULKSPCQVQLCU-BUXLTGKBSA-N RM0125880 Glycyl-Aspartate C6H10N2O5 190.059 Organic acids Amino acids and peptides Dipeptides 97363 73804 HMDB0028837 SCCPDJAQCXWPTF-VKHMYHEASA-N RM0137105 GTP C10H16N5O14P3 522.9907 Nucleic acids Purines Purine rNTP 135398633 15996 HMDB0001273 C00044 XKMLYUALXHKNFT-UUOKFMHZSA-N RM0136084 guanidinoacetate C3H7N3O2 117.0538 Organic acids Amino acids and peptides Amino acids 763 16344 HMDB0000128 C00581 BPMFZUMJYQTVII-UHFFFAOYSA-N RM0040234 guanidinosuccinate C5H9N3O4 175.0593 Organic nitrogen compounds Guanidines Guanidines 439918 17072 HMDB0003157 C03139 VVHOUVWJCQOYGG-REOHCLBHSA-N RM0132195 guanine C5H5N5O 151.0494 Nucleic acids Purines Hypoxanthines 135398634 16235 HMDB0000132 C00242 UYTPUPDQBNUYGX-UHFFFAOYSA-N RM0018303 heptadecanoate C17H34O2 270.2559 Fatty Acyls Fatty acids Saturated FA 10465 32365 HMDB0002259 KEMQGTRYUADPNZ-UHFFFAOYSA-N RM0149933 hexadecanoylcarnitine C23H45NO4 399.3349 Fatty Acyls Fatty esters Acyl carnitines 11953816 17490 HMDB0000222 C02990 XOMRRQXKHMYMOC-OAQYLSRUSA-N RM0153848 hexanoate C6H12O2 116.0837 Fatty Acyls Fatty acids Saturated FA 8892 30776 HMDB0000535 C01585 FUZZWVXGSFPDMH-UHFFFAOYSA-N RM0137067 hexanoylcarnitine C13H25NO4 259.1784 Fatty Acyls Fatty esters Acyl carnitines 3246938 84834 HMDB0000756 VVPRQWTYSNDTEA-LLVKDONJSA-N RM0153846 hexosamine phosphate C6H14NO8P 259.0457 Carbohydrates Monosaccharides Amino sugars 439217 15873 HMDB0001254 C00352 XHMJOUIAFHJHBW-UKFBFLRUSA-N RM0136090 hippurate C9H9NO3 179.0582 Benzenoids Benzamides Hippuric acids 464 18089 HMDB0000714 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N RM0135980 histidine C6H9N3O2 155.0695 Organic acids Amino acids and peptides Amino acids 6274 15971 HMDB0000177 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N RM0129894 homoarginine C7H16N4O2 188.1273 Organic acids Amino acids and peptides Amino acids 9085 27747 HMDB0000670 C01924 QUOGESRFPZDMMT-YFKPBYRVSA-N RM0135972 homocitrulline C7H15N3O3 189.1113 Organic acids Amino acids and peptides Amino acids 65072 17443 HMDB0000679 C02427 XIGSAGMEBXLVJJ-YFKPBYRVSA-N RM0138931 homocysteine C4H9NO2S 135.0354 Organic acids Amino acids and peptides Amino acids 91552 17588 HMDB0000742 C00155 FFFHZYDWPBMWHY-VKHMYHEASA-N RM0136837 hydroxybutyrylcarnitine C11H21NO5 247.142 Fatty Acyls Fatty esters Acyl carnitines RM0154193 hydroxydodecanoylcarnitine C19H37NO5 359.2672 Fatty Acyls Fatty esters Acyl carnitines RM0153951 hydroxyhexadecanoate C16H32O3 272.2351 Fatty Acyls Fatty acids Hydroxy FA RM0073971 hydroxyhexadecanoylcarnitine C23H45NO5 415.3298 Fatty Acyls Fatty esters Acyl carnitines RM0154194 hydroxyoctanoate C8H16O3 160.1099 Fatty Acyls Fatty acids Hydroxy FA RM0153218 hydroxystearate - - - - - - hydroxytryptophan C11H12N2O3 220.0848 Organic acids Amino acids and peptides Amino acids RM0004809 Hypotaurine C2H7NO2S 109.0198 Organic acids Sulfinic acids Sulfinic acids 107812 16668 HMDB0000965 C00519 VVIUBCNYACGLLV-UHFFFAOYSA-N RM0136027 hypoxanthine C5H4N4O 136.0385 Nucleic acids Purines Hypoxanthines 135398638 17368 HMDB0000157 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N RM0135895 imidazolelactate C6H8N2O3 156.0535 Alkaloids Histidine alkaloids Imidazole alkaloids 459122 70808 HMDB0002320 C05568 JTYMXXCJQKGGFG-UHFFFAOYSA-N RM0136144 indole-3-acetate C10H9NO2 175.0633 Alkaloids Tryptophan alkaloids Indoleacetic acids 802 16411 HMDB0000197 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N RM0135909 Indole-3-acrylate C11H9NO2 187.0633 Alkaloids Tryptophan alkaloids Simple indole alkaloids 15030923 90333 HMDB0000734 C21283 SXOUIMVOMIGLHO-AATRIKPKSA-N RM0135983 Indole-3-lactate C11H11NO3 205.0739 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 676158 55528 HMDB0000671 XGILAAMKEQUXLS-SNVBAGLBSA-N RM0044363 indole-3-pyruvate C11H9NO3 203.0582 Alkaloids Tryptophan alkaloids Indolecarboxylic acids 803 29750 HMDB0060484 C00331 RSTKLPZEZYGQPY-UHFFFAOYSA-N RM0028186 indoxyl sulfate C8H7NO4S 213.0096 Alkaloids Tryptophan alkaloids Simple indole alkaloids 10258 43355 HMDB0000682 BXFFHSIDQOFMLE-UHFFFAOYSA-N RM0135976 inositol C6H12O6 180.0634 Organic oxygen compounds Alcohols and polyols Inositols RM0004841 isoleucine C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids 6306 17191 HMDB0000172 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N RM0134975 ketoisoleucine C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 47 35932 HMDB0000491 C06008 JVQYSWDUAOAHFM-UHFFFAOYSA-N RM0118344 ketoleucine C6H10O3 130.063 Organic acids Keto acids Short-chain keto acids 70 48430 HMDB0000695 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N RM0135977 ketovaline C5H8O3 116.0473 Fatty Acyls Fatty acids Branched FA 49 16530 HMDB0000019 C00141 QHKABHOOEWYVLI-UHFFFAOYSA-N RM0153610 kynurenate C10H7NO3 189.0426 Alkaloids Anthranilic acid alkaloids Acridone alkaloids 3845 18344 HMDB0000715 C01717 HCZHHEIFKROPDY-UHFFFAOYSA-N RM0032431 kynurenine C10H12N2O3 208.0848 Organic acids Amino acids and peptides Amino acids 161166 16946 HMDB0000684 C00328 YGPSJZOEDVAXAB-QMMMGPOBSA-N RM0132226 Laudanosine C21H27NO4 357.194 Alkaloids Tyrosine alkaloids Isoquinoline alkaloids 73397 6389 C09558 KGPAYJZAMGEDIQ-KRWDZBQOSA-N RM0053152 laurate C12H24O2 200.1776 Fatty Acyls Fatty acids Saturated FA 3893 30805 HMDB0000638 C02679 POULHZVOKOAJMA-UHFFFAOYSA-N RM0149943 lauroylcarnitine C19H37NO4 343.2723 Fatty Acyls Fatty esters Acyl carnitines 168381 77086 HMDB0002250 FUJLYHJROOYKRA-QGZVFWFLSA-N RM0154012 L-cartinine C7H15NO3 161.1052 Organic nitrogen compounds Carnitines Carnitines 10917 16347 HMDB0000062 C00487 PHIQHXFUZVPYII-ZCFIWIBFSA-N RM0008606 leucine C6H13NO2 131.0946 Organic acids Amino acids and peptides Amino acids 6106 15603 HMDB0000687 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N RM0136379 Lidocaine C14H22N2O 234.1732 Organic acids Amino acids and peptides Amino acids 3676 6456 HMDB0014426 C07073 NNJVILVZKWQKPM-UHFFFAOYSA-N RM0136419 linoleate C18H32O2 280.2402 Fatty Acyls Fatty acids Unsaturated FA 5280450 17351 HMDB0000673 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N RM0149976 linolenate C18H30O2 278.2246 Fatty Acyls Fatty acids Unsaturated FA RM0139661 Linoleylcarnitine C25H45NO4 423.3349 Fatty Acyls Fatty esters Acyl carnitines RM0154158 lumichrome C12H10N4O2 242.0804 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 5326566 17781 HMDB0254199 C01727 ZJTJUVIJVLLGSP-UHFFFAOYSA-N RM0118166 lysine C6H14N2O2 146.1055 Organic acids Amino acids and peptides Amino acids 5962 18019 HMDB0000182 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N RM0135903 malonylcarnitine C10H17NO6 247.1056 Fatty Acyls Fatty esters Acyl carnitines 22833583 86047 HMDB0002095 ZGNBLKBZJBJFDG-ZETCQYMHSA-N RM0154022 methionine C5H11NO2S 149.0511 Organic acids Amino acids and peptides Amino acids 6137 16643 HMDB0000696 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N RM0161726 methionine sulfone C5H11NO4S 181.0409 Organic acids Amino acids and peptides Amino acids 445282 21363 HMDB0062174 UCUNFLYVYCGDHP-BYPYZUCNSA-N RM0161728 methionine sulfoxide C5H11NO3S 165.046 Organic acids Amino acids and peptides Amino acids 10062737 49032 HMDB0002005 QEFRNWWLZKMPFJ-ZXPFJRLXSA-N RM0050489 methylhistidine C7H11N3O2 169.0851 Organic acids Amino acids and peptides Amino acids RM0005026 methylthioadenosine C11H15N5O3S 297.0896 Nucleic acids Purines Purine ribonucleosides RM0138708 metoclopramide C14H22ClN3O2 299.1401 Benzenoids Benzenes Benzoic acids 4168 107736 HMDB0015363 C07868 TTWJBBZEZQICBI-UHFFFAOYSA-N RM0136588 myristate C14H28O2 228.2089 Fatty Acyls Fatty acids Saturated FA 11005 28875 HMDB0000806 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N RM0153483 myristoylcarnitine C21H41NO4 371.3036 Fatty Acyls Fatty esters Acyl carnitines 53477791 84634 HMDB0005066 PSHXNVGSVNEJBD-LJQANCHMSA-N RM0154013 N,N-dimethylaniline C8H11N 121.0891 Organic nitrogen compounds Amines Dialkylarylamines 949 16269 HMDB0001020 C02846 JLTDJTHDQAWBAV-UHFFFAOYSA-N RM0040295 N,N-dimethylarginine C8H18N4O2 202.143 Organic acids Amino acids and peptides Amino acids 123831 17929 HMDB0001539 C03626 YDGMGEXADBMOMJ-LURJTMIESA-N RM0131870 N1-methyl-2-pyridone-5-carboxamide C7H8N2O2 152.0586 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 69698 27410 HMDB0004193 C05842 JLQSXXWTCJPCBC-UHFFFAOYSA-N RM0030027 N2-acetylornithine C7H14N2O3 174.1004 Organic acids Amino acids and peptides Amino acids 439232 16543 HMDB0003357 C00437 JRLGPAXAGHMNOL-LURJTMIESA-N RM0136214 N2-gamma-Glutamylglutamine C10H17N3O6 275.1117 Organic acids Amino acids and peptides Dipeptides 150914 73707 HMDB0011738 C05283 JBFYFLXEJFQWMU-WDSKDSINSA-N RM0013281 N4-acetylcytidine C11H15N3O6 285.0961 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 107461 70989 HMDB0005923 NIDVTARKFBZMOT-PEBGCTIMSA-N RM0136296 N6,N6,N6-trimethyllysine C9H20N2O2 188.1525 Organic acids Amino acids and peptides Amino acids 440120 165870 HMDB0001325 C03793 MXNRLFUSFKVQSK-QMMMGPOBSA-N RM0009124 N6-acetyllysine C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids 92832 17752 HMDB0000206 C02727 DTERQYGMUDWYAZ-ZETCQYMHSA-N RM0135910 N6-methyllysine C7H16N2O2 160.1212 Organic acids Amino acids and peptides Amino acids 164795 17604 HMDB0002038 C02728 PQNASZJZHFPQLE-LURJTMIESA-N RM0020527 N8-Acetylspermidine C9H21N3O 187.1685 Alkaloids Ornithine alkaloids Polyamines 123689 27911 HMDB0002189 C01029 FONIWJIDLJEJTL-UHFFFAOYSA-N RM0136169 N-acetylalanine C5H9NO3 131.0582 Organic acids Amino acids and peptides Amino acids 88064 40992 HMDB0000766 KTHDTJVBEPMMGL-VKHMYHEASA-N RM0135990 N-acetylasparagine C6H10N2O4 174.0641 Organic acids Amino acids and peptides Amino acids 99715 139582 HMDB0006028 HXFOXFJUNFFYMO-BYPYZUCNSA-N RM0136298 N-acetylaspartylglutamate C11H16N2O8 304.0907 Organic acids Amino acids and peptides Dipeptides 71120 191259 HMDB0001067 C12270 OPVPGKGADVGKTG-NKWVEPMBSA-N RM0027165 N-acetylcarnosine C11H16N4O4 268.1172 Organic acids Amino acids and peptides Dipeptides 9903482 67249 HMDB0255058 BKAYIFDRRZZKNF-VIFPVBQESA-N RM0137108 N-acetylglutamine C7H12N2O4 188.0797 Organic acids Amino acids and peptides Amino acids 182230 21553 HMDB0006029 KSMRODHGGIIXDV-YFKPBYRVSA-N RM0138125 N-acetylhexosamine C8H15NO6 221.0899 Carbohydrates Monosaccharides Amino sugars 899 7203 HMDB0248228 C02711 OVRNDRQMDRJTHS-UHFFFAOYSA-N RM0157181 N-acetylhexosamine phosphate - - - - - - N-acetylhistidine C8H11N3O3 197.08 Organic acids Amino acids and peptides Amino acids 75619 16437 HMDB0032055 C02997 KBOJOGQFRVVWBH-ZETCQYMHSA-N RM0132177 N-acetylisoleucine C8H15NO3 173.1052 Organic acids Amino acids and peptides Amino acids 7036275 21555 HMDB0061684 JDTWZSUNGHMMJM-FSPLSTOPSA-N RM0132242 N-acetylleucine C8H15NO3 173.1052 Organic acids Amino acids and peptides Amino acids 70912 17786 HMDB0011756 C02710 WXNXCEHXYPACJF-ZETCQYMHSA-N RM0136362 N-acetylmethionine C7H13NO3S 191.0616 Organic acids Amino acids and peptides Amino acids 448580 21557 HMDB0011745 C02712 XUYPXLNMDZIRQH-LURJTMIESA-N RM0161627 N-acetylneuraminate C11H19NO9 309.106 Carbohydrates Monosaccharides Sugar acids 445063 45744 HMDB0000230 C19910 SQVRNKJHWKZAKO-PFQGKNLYSA-N RM0135920 N-acetylphenylalanine C11H13NO3 207.0895 Organic acids Amino acids and peptides Amino acids 74839 16259 HMDB0000512 C03519 CBQJSKKFNMDLON-JTQLQIEISA-N RM0138929 N-acetylputrescine C6H14N2O 130.1106 Alkaloids Ornithine alkaloids Polyamines 122356 17768 HMDB0002064 C02714 KLZGKIDSEJWEDW-UHFFFAOYSA-N RM0136156 N-acetylserine C5H9NO4 147.0532 Organic acids Amino acids and peptides Amino acids 65249 45441 HMDB0002931 JJIHLJJYMXLCOY-BYPYZUCNSA-N RM0128505 N-acetyltaurine C4H9NO4S 167.0252 Organic acids Organosulfonic acids Organosulfonic acids 159864 84415 HMDB0240253 CXJAAWRLVGAKDV-UHFFFAOYSA-N RM0023264 N-acetylthreonine C6H11NO4 161.0688 Organic acids Amino acids and peptides Amino acids 152204 45826 HMDB0062557 PEDXUVCGOLSNLQ-WUJLRWPWSA-N RM0139149 N-acetyltryptophan C13H14N2O3 246.1004 Organic acids Amino acids and peptides Amino acids 700653 74640 HMDB0013713 DZTHIGRZJZPRDV-LBPRGKRZSA-N RM0162118 N-acetyltyrosine C11H13NO4 223.0845 Organic acids Amino acids and peptides Amino acids 68310 21563 HMDB0000866 C01657 CAHKINHBCWCHCF-JTQLQIEISA-N RM0136012 N-acetylvaline C7H13NO3 159.0895 Organic acids Amino acids and peptides Amino acids 66789 IHYJTAOFMMMOPX-LURJTMIESA-N RM0013320 NAD C21H27N7O14P2 663.1091 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5892 44215 HMDB0000902 C00003 BAWFJGJZGIEFAR-NNYOXOHSSA-N RM0133217 NADH C21H29N7O14P2 665.1248 Nucleic acids Nicotinamides Nicotinamide dinucleotides 439153 16908 HMDB0001487 C00004 BOPGDPNILDQYTO-NNYOXOHSSA-N RM0136399 NADP C21H28N7O17P3 743.0755 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5885 44409 HMDB0304435 C00006 XJLXINKUBYWONI-NNYOXOHSSA-N RM0133216 NADPH C21H30N7O17P3 745.0911 Nucleic acids Nicotinamides Nicotinamide dinucleotides 5884 16474 HMDB0000221 C00005 ACFIXJIJDZMPPO-NNYOXOHSSA-N RM0157850 N-alpha-acetyllysine C8H16N2O3 188.1161 Organic acids Amino acids and peptides Amino acids 92907 35704 HMDB0000446 C12989 VEYYWZRYIYDQJM-ZETCQYMHSA-N RM0132215 N-butylbenzenesulfonamide - - - - - - N-formylkynurenine C11H12N2O4 236.0797 Organic acids Amino acids and peptides Amino acids 439788 30249 HMDB0060485 C02700 BYHJHXPTQMMKCA-QMMMGPOBSA-N RM0009128 N-formylmethionine C6H11NO3S 177.046 Organic acids Amino acids and peptides Amino acids 6995182 16552 HMDB0001015 C03145 PYUSHNKNPOHWEZ-RXMQYKEDSA-N RM0136031 nicotinamide C6H6N2O 122.048 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 936 17154 HMDB0001406 C00153 DFPAKSUCGFBDDF-UHFFFAOYSA-N RM0156450 nicotinamide mononucleotide C11H15N2O8P 334.0566 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 14180 16171 HMDB0000229 C00455 DAYLJWODMCOQEW-TURQNECASA-N RM0135915 N-methylglutamate C6H11NO4 161.0688 Organic acids Amino acids and peptides Amino acids 439377 16440 HMDB0062660 C01046 XLBVNMSMFQMKEY-BYPYZUCNSA-N RM0129458 N-methylproline C6H11NO2 129.079 Organic acids Amino acids and peptides Amino acids 643474 90344 HMDB0094696 CWLQUGTUXBXTLF-YFKPBYRVSA-N RM0137476 norlidocaine C12H18N2O 206.1419 Organic acids Amino acids and peptides Amino acid amides 24415 222828 HMDB0060656 WRMRXPASUROZGT-UHFFFAOYSA-N RM0137128 octadecanoylcarnitine C25H49NO4 427.3662 Fatty Acyls Fatty esters Acyl carnitines 52922056 84644 HMDB0000848 FNPHNLNTJNMAEE-HSZRJFAPSA-N RM0153850 octanoate C8H16O2 144.115 Fatty Acyls Fatty acids Saturated FA 379 28837 HMDB0000482 C06423 WWZKQHOCKIZLMA-UHFFFAOYSA-N RM0134956 octanoylcarnitine C15H29NO4 287.2097 Fatty Acyls Fatty esters Acyl carnitines 11953814 18102 HMDB0000791 C02838 CXTATJFJDMJMIY-CYBMUJFWSA-N RM0154093 octenoylcarnitine C15H27NO4 285.194 Fatty Acyls Fatty esters Acyl carnitines RM0154083 oleate C18H34O2 282.2559 Fatty Acyls Fatty acids Unsaturated FA 445639 16196 HMDB0000207 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N RM0151650 oleoylcarnitine C25H47NO4 425.3505 Fatty Acyls Fatty esters Acyl carnitines RM0153915 ondansetron C18H19N3O 293.1528 Alkaloids Tryptophan alkaloids Carbazole alkaloids 4595 7773 HMDB0005035 C07325 FELGMEQIXOGIFQ-UHFFFAOYSA-N RM0053118 ophthalmate C11H19N3O6 289.1274 Organic acids Amino acids and peptides Tripeptides 7018721 84058 HMDB0005765 JCMUOFQHZLPHQP-BQBZGAKWSA-N RM0136291 ornithine C5H12N2O2 132.0899 Organic acids Amino acids and peptides Amino acids 6262 15729 HMDB0000214 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N RM0135912 O-succinylhomoserine C8H13NO6 219.0743 Organic acids Amino acids and peptides Amino acids 439406 16160 HMDB0255868 C01118 GNISQJGXJIDKDJ-YFKPBYRVSA-N RM0136785 o-toluidine C7H9N 107.0735 Benzenoids Benzenes Other benzenes 7242 66892 HMDB0041965 C14403 RNVCVTLRINQCPJ-UHFFFAOYSA-N RM0038387 Oxidized glutathione C20H32N6O12S2 612.152 Organic acids Amino acids and peptides Tripeptides 65359 17858 HMDB0003337 C00127 YPZRWBKMTBYPTK-BJDJZHNGSA-N RM0139022 palmitate C16H32O2 256.2402 Fatty Acyls Fatty acids Saturated FA 985 15756 HMDB0000220 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N RM0153571 palmitoleate C16H30O2 254.2246 Fatty Acyls Fatty acids Unsaturated FA 445638 28716 HMDB0003229 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N RM0153617 palmitoyl sphingomyelin C39H79N2O6P 702.5676 Sphingolipids Phosphosphingolipids SM 9939941 78646 HMDB0010169 RWKUXQNLWDTSLO-GWQJGLRPSA-N RM0135543 palmitoylethanolamide C18H37NO2 299.2824 Fatty Acyls Fatty amides NAE 4671 71464 HMDB0002100 C16512 HXYVTAGFYLMHSO-UHFFFAOYSA-N RM0153080 pantothenate C9H17NO5 219.1107 Organic acids Amino acids and peptides Amino acids 6613 46905 HMDB0000210 GHOKWGTUZJEAQD-ZETCQYMHSA-N RM0136730 p-Cresol sulfate C7H8O4S 188.0143 Organic acids Arylsulfates Phenylsulfates 4615423 82914 HMDB0011635 WGNAKZGUSRVWRH-UHFFFAOYSA-N RM0159957 PEG n6 - - - - - - PEG n7 - - - - - - PEG n8 - - - - - - pentadecanoate C15H30O2 242.2246 Fatty Acyls Fatty acids Saturated FA 13849 42504 HMDB0000826 C16537 WQEPLUUGTLDZJY-UHFFFAOYSA-N RM0153573 phenol sulfate C6H6O4S 173.9987 Benzenoids Benzenes Hydroxybenzoic acids 74426 27905 HMDB0060015 C00850 CTYRPMDGLDAWRQ-UHFFFAOYSA-N RM0022792 phenylacetylglutamine C13H16N2O4 264.111 Organic acids Amino acids and peptides Amino acids 92258 17884 HMDB0006344 C04148 JFLIEFSWGNOPJJ-JTQLQIEISA-N RM0056200 phenylacetylglycine C10H11NO3 193.0739 Organic acids Amino acids and peptides Amino acids 68144 27480 HMDB0000821 C05598 UTYVDVLMYQPLQB-UHFFFAOYSA-N RM0012731 phenylalanine C9H11NO2 165.079 Organic acids Amino acids and peptides Amino acids 6140 17295 HMDB0000159 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N RM0135897 phosphocholine C5H14NO4P 183.066 Organic nitrogen compounds Cholines Cholines 135437 18132 HMDB0001565 YHHSONZFOIEMCP-UHFFFAOYSA-N RM0007522 phosphocreatine C4H10N3O5P 211.0358 Organic acids Amino acids and peptides Amino acids 9548602 17287 HMDB0001511 C02305 DRBBFCLWYRJSJZ-UHFFFAOYSA-N RM0009827 phosphoethanolamine C2H8NO4P 141.0191 Organic acids Phosphate esters Phosphoethanolamines 1015 17553 HMDB0000224 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N RM0060581 picolinate C6H5NO2 123.032 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1018 28747 HMDB0002243 C10164 SIOXPEMLGUPBBT-UHFFFAOYSA-N RM0136177 pipecolate C6H11NO2 129.079 Organic acids Amino acids and peptides Amino acids 439227 30913 HMDB0000716 C00408 HXEACLLIILLPRG-YFKPBYRVSA-N RM0135981 piperine C17H19NO3 285.1365 Alkaloids Lysine alkaloids Piperidine alkaloids 638024 28821 HMDB0029377 C03882 MXXWOMGUGJBKIW-YPCIICBESA-N RM0043248 proline betaine C7H13NO2 143.0946 Organic acids Amino acids and peptides Amino acids 115244 35280 HMDB0004827 C10172 CMUNUTVVOOHQPW-LURJTMIESA-N RM0012987 propylurofuranate - - - - - - pseudouridine C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 15047 17802 HMDB0000767 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N RM0033386 quinate C7H12O6 192.0634 Benzenoids Benzenes Hydroxybenzoic acids 6508 17521 HMDB0003072 C00296 AAWZDTNXLSGCEK-WYWMIBKRSA-N RM0071875 quinine C20H24N2O2 324.1838 Alkaloids Tryptophan alkaloids Cinchona alkaloids 3034034 15854 HMDB0014611 C06526 LOUPRKONTZGTKE-WZBLMQSHSA-N RM0013379 quinolinate C7H5NO4 167.0219 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 1066 16675 HMDB0000232 C03722 GJAWHXHKYYXBSV-UHFFFAOYSA-N RM0135916 retinol C20H30O 286.2297 Prenol Lipids Isoprenoids Retinoids 445354 17336 HMDB0000305 C00473 FPIPGXGPPPQFEQ-OVSJKPMPSA-N RM0118412 riboflavin C17H20N4O6 376.1383 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins 493570 17015 HMDB0000244 C00255 AUNGANRZJHBGPY-SCRDCRAPSA-N RM0135919 ribonate C5H10O6 166.0477 Carbohydrates Monosaccharides Sugar acids 5460677 21077 HMDB0000867 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N RM0138937 ricinoleic acid C18H34O3 298.2508 Fatty Acyls Octadecanoids HODE 643684 28592 HMDB0034297 C08365 WBHHMMIMDMUBKC-QJWNTBNXSA-N RM0152245 S-(2-succinyl)cysteine - - - - - - S-(2-Succinyl)glutathione C14H21N3O9S 407.0999 Organic acids Amino acids and peptides Amino acids 439932 15892 CEWPGJBJGGBRQM-YUMQZZPRSA-N RM0132201 saccharate C6H10O8 210.0376 Carbohydrates Monosaccharides Sugar acids 33037 16002 HMDB0000663 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-N RM0153927 saccharin C7H5NO3S 182.999 Organoheterocyclic compounds Benzothiazoles Benzothiazoles 5143 32111 HMDB0029723 C12283 CVHZOJJKTDOEJC-UHFFFAOYSA-N RM0136623 saccharopine C11H20N2O6 276.1321 Organic acids Amino acids and peptides Amino acids 160556 16927 HMDB0000279 C00449 ZDGJAHTZVHVLOT-YUMQZZPRSA-N RM0042980 salicylate C7H6O3 138.0317 Benzenoids Benzenes Hydroxybenzoic acids 338 16914 HMDB0001895 C00805 YGSDEFSMJLZEOE-UHFFFAOYSA-N RM0136132 salicylurate C9H9NO4 195.0532 Benzenoids Benzenes Hydroxybenzoic acids 10253 9008 HMDB0000840 C07588 ONJSZLXSECQROL-UHFFFAOYSA-N RM0136008 sarcosine C3H7NO2 89.0477 Organic acids Amino acids and peptides Amino acids 1088 15611 HMDB0000271 C00213 FSYKKLYZXJSNPZ-UHFFFAOYSA-N RM0135925 sebacate C10H18O4 202.1205 Fatty Acyls Fatty acids Dicarboxylic acids 5192 41865 HMDB0000792 C08277 CXMXRPHRNRROMY-UHFFFAOYSA-N RM0153047 serine C3H7NO3 105.0426 Organic acids Amino acids and peptides Amino acids 5951 17115 HMDB0000187 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N RM0032433 S-lactoylglutathione C13H21N3O8S 379.1049 Organic acids Amino acids and peptides Tripeptides 440018 15694 HMDB0001066 C03451 VDYDCVUWILIYQF-CSMHCCOUSA-N RM0133188 sphingomyelin C41H83N2O6P 730.5989 Sphingolipids Phosphosphingolipids SM 6453725 83358 HMDB0001348 C00550 LKQLRGMMMAHREN-YJFXYUILSA-N RM0135541 stachyose C24H42O21 666.2219 Carbohydrates Oligosaccharides Oligosaccharides 439531 17164 HMDB0003553 C01613 UQZIYBXSHAGNOE-XNSRJBNMSA-N RM0160568 stearate C18H36O2 284.2715 Fatty Acyls Fatty acids Saturated FA 5281 28842 HMDB0000827 C01530 QIQXTHQIDYTFRH-UHFFFAOYSA-N RM0153574 stearoylcarnitine C25H49NO4 427.3662 Fatty Acyls Fatty esters Acyl carnitines 52922056 84644 HMDB0000848 FNPHNLNTJNMAEE-HSZRJFAPSA-N RM0153850 stearoylethanolamide C20H41NO2 327.3137 Fatty Acyls Fatty amides NAE 27902 85299 HMDB0013078 OTGQIQQTPXJQRG-UHFFFAOYSA-N RM0153067 suberate C8H14O4 174.0892 Fatty Acyls Fatty acids Dicarboxylic acids 10457 9300 HMDB0000893 C08278 TYFQFVWCELRYAO-UHFFFAOYSA-N RM0134985 succinyladenosine C14H17N5O8 383.1077 Nucleic acids Purines Purine ribonucleosides 20849086 71169 HMDB0000912 VKGZCEJTCKHMRL-VWJPMABRSA-N RM0136023 succinylcarnitine C11H19NO6 261.1212 Fatty Acyls Fatty esters Acyl carnitines 71464481 73034 HMDB0061717 HAEVNYBCYZZDFL-UHFFFAOYSA-N RM0154186 targinine C7H16N4O2 188.1273 Organic acids Amino acids and peptides Amino acids 132862 28229 HMDB0029416 C03884 NTNWOCRCBQPEKQ-YFKPBYRVSA-N RM0136489 tartrate C4H6O6 150.0164 Carbohydrates Monosaccharides Sugar acids 444305 15671 HMDB0000956 C00898 FEWJPZIEWOKRBE-JCYAYHJZSA-N RM0155949 taurine C2H7NO3S 125.0147 Organic acids Sulfonic acids Sulfonic acids 1123 15891 HMDB0000251 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N RM0118223 testosterone sulfate C19H28O5S 368.1657 Sterol Lipids Steroids C19 Steroids 119207 84094 HMDB0002833 WAQBISPOEAOCOG-DYKIIFRCSA-N RM0126068 tetradecenoylcarnitine C21H39NO4 369.2879 Fatty Acyls Fatty esters Acyl carnitines RM0154190 theobromine C7H8N4O2 180.0647 Nucleic acids Purines Xanthines 5429 28946 HMDB0002825 C07480 YAPQBXQYLJRXSA-UHFFFAOYSA-N RM0159435 thiamine C12H17N4OS 265.1123 Nucleic acids Pyrimidines Thiamines 1130 18385 HMDB0000235 C00378 JZRWCGZRTZMZEH-UHFFFAOYSA-N RM0135917 thioproline C4H7NO2S 133.0197 Organic acids Amino acids and peptides Amino acids 93176 45171 HMDB0062164 DZLNHFMRPBPULJ-VKHMYHEASA-N RM0013708 threonate C4H8O5 136.0372 Carbohydrates Monosaccharides Sugar acids 5460407 15908 HMDB0000943 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N RM0049431 threonine C4H9NO3 119.0582 Organic acids Amino acids and peptides Amino acids 6288 16857 HMDB0000167 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N RM0135900 tiglylcarnitine C12H21NO4 243.1471 Fatty Acyls Fatty esters Acyl carnitines 22833596 71179 HMDB0002366 WURBQCVBQNMUQT-RMKNXTFCSA-N RM0154204 triethanolamine C6H15NO3 149.1052 Organic nitrogen compounds Amines Tertiary amines 7618 28621 HMDB0032538 C06771 GSEJCLTVZPLZKY-UHFFFAOYSA-N RM0118215 triethyl phosphate C6H15O4P 182.0708 Organic acids Organic phosphoric acids Phosphate esters 6535 45927 HMDB0259191 DQWPFSLDHJDLRL-UHFFFAOYSA-N RM0118200 trigonelline C7H7NO2 137.0477 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids 5570 18123 HMDB0000875 C01004 WWNNZCOKKKDOPX-UHFFFAOYSA-N RM0136017 triisopropanolamine - - - - - - tryptophan C11H12N2O2 204.0899 Organic acids Amino acids and peptides Amino acids 6305 16828 HMDB0000929 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N RM0136024 tryptophan betaine C14H18N2O2 246.1368 Alkaloids Tryptophan alkaloids Tryptamines 442106 5832 HMDB0061115 C09213 AOHCBEAZXHZMOR-ZDUSSCGKSA-N RM0108718 tyrosine C9H11NO3 181.0739 Organic acids Amino acids and peptides Amino acids 6057 17895 HMDB0000158 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N RM0135896 UDP C9H14N2O12P2 404.0022 Nucleic acids Pyrimidines Pyrimidine rNDP 6031 17659 HMDB0000295 C00015 XCCTYIAWTASOJW-XVFCMESISA-N RM0135932 UMP C9H13N2O9P 324.0359 Nucleic acids Pyrimidines Pyrimidine rNMP 6030 16695 HMDB0000288 C00105 DJJCXFVJDGTHFX-XVFCMESISA-N RM0135929 undecanedioate C11H20O4 216.1362 Fatty Acyls Fatty acids Dicarboxylic acids 15816 73713 HMDB0000888 LWBHHRRTOZQPDM-UHFFFAOYSA-N RM0139029 uracil C4H4N2O2 112.0273 Nucleic acids Pyrimidines Other pyrimidines 1174 17568 HMDB0000300 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N RM0135934 urate C5H4N4O3 168.0283 Nucleic acids Purines Xanthines 1175 17775 HMDB0000289 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N RM0160856 ureidopropionate C4H8N2O3 132.0535 Organic nitrogen compounds Organonitrogen compounds Ureas 111 18261 HMDB0000026 C02642 JSJWCHRYRHKBBW-UHFFFAOYSA-N RM0135867 uridine C9H12N2O6 244.0695 Nucleic acids Pyrimidines Pyrimidine ribonucleosides 6029 16704 HMDB0000296 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N RM0135933 urocanate C6H6N2O2 138.0429 Alkaloids Histidine alkaloids Imidazole alkaloids 736715 30817 HMDB0000301 C00785 LOIYMIARKYCTBW-OWOJBTEDSA-N RM0135935 UTP C9H15N2O15P3 483.9685 Nucleic acids Pyrimidines Pyrimidine rNTP 6133 15713 HMDB0000285 C00075 PGAVKCOVUIYSFO-XVFCMESISA-N RM0160877 valerate C5H10O2 102.0681 Fatty Acyls Fatty acids Saturated FA 7991 17418 HMDB0000892 C00803 NQPDZGIKBAWPEJ-UHFFFAOYSA-N RM0139464 valine C5H11NO2 117.079 Organic acids Amino acids and peptides Amino acids 6287 16414 HMDB0000883 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N RM0136018 vanillylmandelate C9H10O5 198.0528 Organic acids Phenylpropanoids Cinnamic acids 736172 27622 HMDB0000291 C05584 CGQCWMIAEPEHNQ-QMMMGPOBSA-N RM0002833 xanthine C5H4N4O2 152.0334 Nucleic acids Purines Xanthines 1188 17712 HMDB0000292 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N RM0135930 xanthosine C10H12N4O6 284.0757 Nucleic acids Purines Purine ribonucleosides 64959 18107 HMDB0000299 UBORTCNDUKBEOP-UUOKFMHZSA-N RM0161017 METABOLITES_END #END