#METABOLOMICS WORKBENCH cici_shao_20190411_231203 DATATRACK_ID:1703 STUDY_ID:ST001170 ANALYSIS_ID:AN001935 PROJECT_ID:PR000782 VERSION 1 CREATED_ON April 17, 2019, 8:55 am #PROJECT PR:PROJECT_TITLE Carbohydrates, amino acid and nucleotide studies PR:PROJECT_SUMMARY Comparision of carbohydrates,amino acid and nucleotide between MCF-7 cells PR:PROJECT_SUMMARY treated with different concentration of doxorubicin PR:INSTITUTE China Pharmaceutical University PR:LAST_NAME Shao PR:FIRST_NAME Chang PR:ADDRESS Tongjiaxiang #24, Nanjing, Jiangsu, 210000, China PR:EMAIL cici_shao@126.com PR:PHONE 13951628679 #STUDY ST:STUDY_TITLE Timecourse on MCF-7 cells treated with different concentration of doxorubicin ST:STUDY_SUMMARY MCF-7 cells treated with 10μM doxorubicin for 4h followed by subsequent ST:STUDY_SUMMARY withdrawl of the drug and cultured up to 48h.Doxurubicin-treated cells and ST:STUDY_SUMMARY control cells were collected at 0,12,24,36,and 48h. Meanwhile,MCF-7 cells ST:STUDY_SUMMARY continuously exposed to a low dosage of doxorubicin at 0.1μM for 96h. ST:STUDY_SUMMARY Doxorubicin-treated cells and control cells were collected at 0,24,48,72 and ST:STUDY_SUMMARY 96h. ST:INSTITUTE China Pharmaceutical University ST:LAST_NAME Shao ST:FIRST_NAME Chang ST:ADDRESS Tongjiaxiang #24, Nanjing, Jiangsu, 210000, China ST:EMAIL cici_shao@126.com ST:PHONE 13951628679 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Not applicable #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 0.1_NC_0h_1 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_0h_2 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_0h_3 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_0h_4 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_0h_5 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_24h_1 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_24h_2 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_24h_3 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_24h_4 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_24h_5 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_48h_1 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_48h_2 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_48h_3 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_48h_4 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_48h_5 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_72h_1 hours:72 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_72h_2 hours:72 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_72h_3 hours:72 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_72h_4 hours:72 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_72h_5 hours:72 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_96h_1 hours:96 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_96h_2 hours:96 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_96h_3 hours:96 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_96h_4 hours:96 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_NC_96h_5 hours:96 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 0.1_24h_1 hours:24 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_24h_2 hours:24 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_24h_3 hours:24 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_24h_4 hours:24 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_24h_5 hours:24 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_48h_1 hours:48 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_48h_2 hours:48 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_48h_3 hours:48 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_48h_4 hours:48 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_48h_5 hours:48 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_72h_1 hours:72 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_72h_2 hours:72 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_72h_3 hours:72 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_72h_4 hours:72 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_72h_5 hours:72 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_96h_1 hours:96 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_96h_2 hours:96 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_96h_3 hours:96 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_96h_4 hours:96 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 0.1_96h_5 hours:96 | Doxorubicin dosage(μM):0.1 SUBJECT_SAMPLE_FACTORS - 10_NC_0h_1 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_0h_2 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_0h_3 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_0h_4 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_0h_5 hours:- | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_12h_1 hours:12 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_12h_2 hours:12 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_12h_3 hours:12 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_12h_4 hours:12 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_12h_5 hours:12 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_24h_1 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_24h_2 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_24h_3 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_24h_4 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_24h_5 hours:24 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_36h_1 hours:36 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_36h_2 hours:36 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_36h_3 hours:36 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_36h_4 hours:36 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_36h_5 hours:36 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_48h_1 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_48h_2 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_48h_3 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_48h_4 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_NC_48h_5 hours:48 | Doxorubicin dosage(μM):- SUBJECT_SAMPLE_FACTORS - 10_12h_1 hours:12 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_12h_2 hours:12 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_12h_3 hours:12 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_12h_4 hours:12 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_12h_5 hours:12 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_24h_1 hours:24 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_24h_2 hours:24 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_24h_3 hours:24 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_24h_4 hours:24 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_24h_5 hours:24 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_36h_1 hours:36 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_36h_2 hours:36 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_36h_3 hours:36 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_36h_4 hours:36 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_36h_5 hours:36 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_48h_1 hours:48 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_48h_2 hours:48 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_48h_3 hours:48 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_48h_4 hours:48 | Doxorubicin dosage(μM):10 SUBJECT_SAMPLE_FACTORS - 10_48h_5 hours:48 | Doxorubicin dosage(μM):10 #COLLECTION CO:COLLECTION_SUMMARY Cells were washed with cold PBS twice and then permeabilized with cold 80% CO:COLLECTION_SUMMARY methanol followed by a 20-minute incubation at -80℃. The cell lysates were CO:COLLECTION_SUMMARY centrifuges at 14000g for 5 mins and the supernatant were collected and CO:COLLECTION_SUMMARY evaporated to dryness. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY MCF-7 cells were exposed to 10 μM doxorubicin for 4 hr followed by subsequent TR:TREATMENT_SUMMARY withdrawal of the drug. Meanwhile, MCF-7 cells continuously exposed to a low TR:TREATMENT_SUMMARY dosage of doxorubicin at 0.1 μM for 96 hr. Doxorubicin-treated cells and TR:TREATMENT_SUMMARY control cells were collected at different time. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY MCF-7 cells were harvested and permeabilized with cold (80% (v/v) methanol: SP:SAMPLEPREP_SUMMARY water solution followed by a 20-min incubation at -80 ℃. A stock solution of SP:SAMPLEPREP_SUMMARY 4-Chloro-DL-phenylalanine was pre-spiked into the methanol aqueous buffer to a SP:SAMPLEPREP_SUMMARY final concentration of 1.5 μg/mL, which subsequently served as an internal SP:SAMPLEPREP_SUMMARY standard (IS). The cell lysates were centrifuged at 14,000g for 5 min at 4 ℃, SP:SAMPLEPREP_SUMMARY and the resultant supernatant were collected and evaporated to dryness. The SP:SAMPLEPREP_SUMMARY samples were reconstituted in 100 μL of water (LC-MS grade) before analysis on SP:SAMPLEPREP_SUMMARY an HPLC−MS/MS, and 20 μL was used for analysis. For each group of samples SP:SAMPLEPREP_SUMMARY subjected to metabolomics analysis, five biological replicates were prepared. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The mobile phase consisted of solvent A (5 mM ammonium acetate, pH=9, and 5% CH:CHROMATOGRAPHY_SUMMARY acetonitrile) and solvent B (acetonitrile). The gradient was set as follows: CH:CHROMATOGRAPHY_SUMMARY 0–3 min, 85% B; 3–6 min, 85–30% B; 6–15 min, 30–2% B; 15–18 min, 2% CH:CHROMATOGRAPHY_SUMMARY B; 18–19 min, 2–85% B; 19–26 min, 85% B. The flow rate was set at 0.4 CH:CHROMATOGRAPHY_SUMMARY mL/min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu LC-30A CH:COLUMN_NAME Waters XBridge Amide (100 x 4.6mm, 3.5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600 TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The MS data was acquired in the negative ion mode using a data-dependent MS:MS_COMMENTS acquisition approach. The electrospray ionization (ESI) source conditions were MS:MS_COMMENTS used as follows: TOF MS scan, m/z 50 – 1000 Da; Product ion scan, m/z 50 – MS:MS_COMMENTS 900 Da; Ion Source Gas 1 (Gas 1), 50 psi; Ion Source Gas 2 (Gas 2), 30 psi; MS:MS_COMMENTS Curtain gas, 30 psi; Source temperature, 500 ℃; Ion Spray Voltage Floating, MS:MS_COMMENTS -4500 V; Declustering potential (DP), -100V; Collision energy (CE), -35 V; CE MS:MS_COMMENTS spread, 10 V. MS data acquisition was controlled by Analyst TF 1.6.1 (AB SCIEX, MS:MS_COMMENTS Framingham, MA, USA). The accurate mass was calibrated by Calibration Delivery MS:MS_COMMENTS System. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak area MS_METABOLITE_DATA_START Samples 0.1_24h_1 0.1_24h_2 0.1_24h_3 0.1_24h_4 0.1_24h_5 0.1_NC_24h_1 0.1_NC_24h_2 0.1_NC_24h_3 0.1_NC_24h_4 0.1_NC_24h_5 0.1_48h_1 0.1_48h_2 0.1_48h_3 0.1_48h_4 0.1_48h_5 0.1_NC_48h_1 0.1_NC_48h_2 0.1_NC_48h_3 0.1_NC_48h_4 0.1_NC_48h_5 0.1_72h_1 0.1_72h_2 0.1_72h_3 0.1_72h_4 0.1_72h_5 0.1_NC_72h_1 0.1_NC_72h_2 0.1_NC_72h_3 0.1_NC_72h_4 0.1_NC_72h_5 0.1_96h_1 0.1_96h_2 0.1_96h_3 0.1_96h_4 0.1_96h_5 0.1_NC_96h_1 0.1_NC_96h_2 0.1_NC_96h_3 0.1_NC_96h_4 0.1_NC_96h_5 10_12h_1 10_12h_2 10_12h_3 10_12h_4 10_12h_5 10_NC_12h_1 10_NC_12h_2 10_NC_12h_3 10_NC_12h_4 10_NC_12h_5 10_24h_1 10_24h_2 10_24h_3 10_24h_4 10_24h_5 10_NC_24h_1 10_NC_24h_2 10_NC_24h_3 10_NC_24h_4 10_NC_24h_5 10_36h_1 10_36h_2 10_36h_3 10_36h_4 10_36h_5 10_NC_36h_1 10_NC_36h_2 10_NC_36h_3 10_NC_36h_4 10_NC_36h_5 10_48h_1 10_48h_2 10_48h_3 10_48h_4 10_48h_5 10_NC_48h_1 10_NC_48h_2 10_NC_48h_3 10_NC_48h_4 10_NC_48h_5 Factors hours:24 | Doxorubicin dosage(μM):0.1 hours:24 | Doxorubicin dosage(μM):0.1 hours:24 | Doxorubicin dosage(μM):0.1 hours:24 | Doxorubicin dosage(μM):0.1 hours:24 | Doxorubicin dosage(μM):0.1 hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):0.1 hours:48 | Doxorubicin dosage(μM):0.1 hours:48 | Doxorubicin dosage(μM):0.1 hours:48 | Doxorubicin dosage(μM):0.1 hours:48 | Doxorubicin dosage(μM):0.1 hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:72 | Doxorubicin dosage(μM):0.1 hours:72 | Doxorubicin dosage(μM):0.1 hours:72 | Doxorubicin dosage(μM):0.1 hours:72 | Doxorubicin dosage(μM):0.1 hours:72 | Doxorubicin dosage(μM):0.1 hours:72 | Doxorubicin dosage(μM):- hours:72 | Doxorubicin dosage(μM):- hours:72 | Doxorubicin dosage(μM):- hours:72 | Doxorubicin dosage(μM):- hours:72 | Doxorubicin dosage(μM):- hours:96 | Doxorubicin dosage(μM):0.1 hours:96 | Doxorubicin dosage(μM):0.1 hours:96 | Doxorubicin dosage(μM):0.1 hours:96 | Doxorubicin dosage(μM):0.1 hours:96 | Doxorubicin dosage(μM):0.1 hours:96 | Doxorubicin dosage(μM):- hours:96 | Doxorubicin dosage(μM):- hours:96 | Doxorubicin dosage(μM):- hours:96 | Doxorubicin dosage(μM):- hours:96 | Doxorubicin dosage(μM):- hours:12 | Doxorubicin dosage(μM):10 hours:12 | Doxorubicin dosage(μM):10 hours:12 | Doxorubicin dosage(μM):10 hours:12 | Doxorubicin dosage(μM):10 hours:12 | Doxorubicin dosage(μM):10 hours:12 | Doxorubicin dosage(μM):- hours:12 | Doxorubicin dosage(μM):- hours:12 | Doxorubicin dosage(μM):- hours:12 | Doxorubicin dosage(μM):- hours:12 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):10 hours:24 | Doxorubicin dosage(μM):10 hours:24 | Doxorubicin dosage(μM):10 hours:24 | Doxorubicin dosage(μM):10 hours:24 | Doxorubicin dosage(μM):10 hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:24 | Doxorubicin dosage(μM):- hours:36 | Doxorubicin dosage(μM):10 hours:36 | Doxorubicin dosage(μM):10 hours:36 | Doxorubicin dosage(μM):10 hours:36 | Doxorubicin dosage(μM):10 hours:36 | Doxorubicin dosage(μM):10 hours:36 | Doxorubicin dosage(μM):- hours:36 | Doxorubicin dosage(μM):- hours:36 | Doxorubicin dosage(μM):- hours:36 | Doxorubicin dosage(μM):- hours:36 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):10 hours:48 | Doxorubicin dosage(μM):10 hours:48 | Doxorubicin dosage(μM):10 hours:48 | Doxorubicin dosage(μM):10 hours:48 | Doxorubicin dosage(μM):10 hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- hours:48 | Doxorubicin dosage(μM):- Alanine 0.0023 0.0024 0.0027 0.0031 0.0037 0.0017 0.0019 0.0019 0.0018 0.0021 0.0046 0.0046 0.0052 0.0054 0.0049 0.0026 0.0038 0.0032 0.0035 0.0033 0.0102 0.0098 0.0116 0.0109 0.0101 0.0052 0.0050 0.0057 0.0056 0.0052 0.0060 0.0062 0.0061 0.0064 0.0059 0.0040 0.0036 0.0043 0.0041 0.0041 0.0010 0.0011 0.0011 0.0011 0.0010 0.0009 0.0010 0.0010 0.0011 0.0008 0.0008 0.0009 0.0008 0.0010 0.0008 0.0034 0.0033 0.0037 0.0036 0.0036 0.0007 0.0007 0.0008 0.0008 0.0007 0.0041 0.0043 0.0043 0.0046 0.0042 0.0010 0.0012 0.0013 0.0009 0.0009 0.0100 0.0094 0.0097 0.0100 0.0098 Aspartate 0.0088 0.0093 0.0101 0.0119 0.0132 0.0071 0.0078 0.0082 0.0082 0.0087 0.0139 0.0133 0.0168 0.0178 0.0154 0.0109 0.0105 0.0120 0.0131 0.0110 0.0112 0.0111 0.0125 0.0128 0.0116 0.0079 0.0076 0.0078 0.0084 0.0077 0.0042 0.0045 0.0045 0.0044 0.0044 0.0027 0.0028 0.0027 0.0029 0.0029 0.0105 0.0103 0.0106 0.0102 0.0096 0.0100 0.0108 0.0115 0.0118 0.0104 0.0044 0.0051 0.0052 0.0053 0.0048 0.0161 0.0163 0.0183 0.0177 0.0169 0.0052 0.0050 0.0050 0.0047 0.0049 0.0166 0.0167 0.0167 0.0178 0.0164 0.0040 0.0044 0.0046 0.0042 0.0041 0.0154 0.0155 0.0156 0.0162 0.0162 Glutamate 0.0394 0.0414 0.0420 0.0484 0.0538 0.0327 0.0334 0.0354 0.0334 0.0376 0.0475 0.0476 0.0514 0.0553 0.0498 0.0483 0.0483 0.0506 0.0518 0.0560 0.0569 0.0577 0.0594 0.0582 0.0572 0.0340 0.0334 0.0379 0.0360 0.0360 0.0337 0.0367 0.0342 0.0346 0.0338 0.0211 0.0195 0.0210 0.0220 0.0213 0.0228 0.0235 0.0242 0.0237 0.0237 0.0245 0.0257 0.0275 0.0259 0.0257 0.0198 0.0223 0.0203 0.0209 0.0208 0.0383 0.0390 0.0408 0.0410 0.0396 0.0185 0.0180 0.0189 0.0183 0.0178 0.0334 0.0326 0.0308 0.0338 0.0323 0.0156 0.0149 0.0154 0.0154 0.0140 0.0285 0.0271 0.0294 0.0292 0.0269 Glutamine 0.0521 0.0551 0.0570 0.0659 0.0723 0.0432 0.0456 0.0479 0.0486 0.0511 0.0562 0.0539 0.0601 0.0639 0.0571 0.0492 0.0466 0.0581 0.0608 0.0518 0.0450 0.0442 0.0511 0.0479 0.0443 0.0180 0.0163 0.0198 0.0208 0.0175 0.0252 0.0274 0.0261 0.0268 0.0241 0.0179 0.0165 0.0152 0.0180 0.0182 0.0699 0.0697 0.0709 0.0703 0.0682 0.0608 0.0655 0.0687 0.0697 0.0635 0.0290 0.0338 0.0333 0.0346 0.0326 0.0545 0.0553 0.0614 0.0622 0.0576 0.0282 0.0294 0.0285 0.0292 0.0290 0.0422 0.0428 0.0458 0.0443 0.0438 0.0240 0.0254 0.0271 0.0242 0.0248 0.0470 0.0454 0.0424 0.0391 0.0405 Glycine 0.0032 0.0035 0.0036 0.0040 0.0046 0.0027 0.0029 0.0031 0.0030 0.0033 0.0036 0.0037 0.0040 0.0043 0.0038 0.0034 0.0035 0.0040 0.0041 0.0038 0.0030 0.0031 0.0034 0.0032 0.0032 0.0026 0.0026 0.0028 0.0028 0.0028 0.0032 0.0034 0.0034 0.0035 0.0033 0.0021 0.0021 0.0019 0.0021 0.0023 0.0041 0.0043 0.0040 0.0041 0.0041 0.0029 0.0033 0.0034 0.0035 0.0032 0.0019 0.0021 0.0022 0.0024 0.0020 0.0047 0.0047 0.0052 0.0052 0.0050 0.0014 0.0013 0.0014 0.0013 0.0014 0.0040 0.0043 0.0042 0.0044 0.0041 0.0013 0.0015 0.0015 0.0014 0.0012 0.0058 0.0061 0.0060 0.0062 0.0062 Histidine 0.0058 0.0069 0.0072 0.0083 0.0094 0.0044 0.0047 0.0054 0.0049 0.0057 0.0077 0.0079 0.0096 0.0098 0.0091 0.0082 0.0084 0.0109 0.0110 0.0105 0.0082 0.0078 0.0097 0.0088 0.0080 0.0120 0.0125 0.0147 0.0151 0.0139 0.0074 0.0075 0.0078 0.0086 0.0082 0.0087 0.0072 0.0069 0.0082 0.0088 0.0075 0.0078 0.0080 0.0079 0.0081 0.0050 0.0062 0.0063 0.0067 0.0063 0.0040 0.0048 0.0048 0.0051 0.0052 0.0098 0.0098 0.0117 0.0126 0.0124 0.0043 0.0034 0.0038 0.0036 0.0036 0.0100 0.0105 0.0101 0.0110 0.0108 0.0038 0.0043 0.0044 0.0041 0.0038 0.0152 0.0162 0.0159 0.0176 0.0176 Leucine 0.0422 0.0447 0.0456 0.0532 0.0579 0.0356 0.0374 0.0402 0.0396 0.0425 0.0552 0.0523 0.0591 0.0643 0.0557 0.0592 0.0573 0.0697 0.0705 0.0626 0.0544 0.0506 0.0603 0.0570 0.0506 0.0743 0.0688 0.0693 0.0671 0.0709 0.0486 0.0465 0.0481 0.0481 0.0429 0.0321 0.0315 0.0296 0.0315 0.0304 0.0599 0.0601 0.0597 0.0584 0.0563 0.0513 0.0529 0.0535 0.0560 0.0528 0.0285 0.0320 0.0324 0.0321 0.0314 0.0674 0.0670 0.0725 0.0746 0.0703 0.0308 0.0246 0.0257 0.0241 0.0244 0.0642 0.0636 0.0610 0.0637 0.0627 0.0263 0.0288 0.0316 0.0251 0.0260 0.0865 0.0776 0.0792 0.0821 0.0796 Methionine 0.0014 0.0015 0.0015 0.0017 0.0019 0.0012 0.0013 0.0014 0.0013 0.0016 0.0016 0.0017 0.0019 0.0019 0.0017 0.0017 0.0017 0.0022 0.0021 0.0019 0.0016 0.0016 0.0017 0.0016 0.0015 0.0018 0.0016 0.0018 0.0019 0.0018 0.0014 0.0014 0.0016 0.0016 0.0014 0.0013 0.0012 0.0011 0.0013 0.0012 0.0020 0.0020 0.0021 0.0020 0.0020 0.0018 0.0020 0.0019 0.0022 0.0018 0.0010 0.0013 0.0012 0.0012 0.0013 0.0023 0.0022 0.0025 0.0027 0.0026 0.0011 0.0009 0.0009 0.0010 0.0009 0.0022 0.0023 0.0021 0.0022 0.0022 0.0010 0.0010 0.0011 0.0009 0.0009 0.0027 0.0025 0.0025 0.0027 0.0026 Phenylalanine 0.0067 0.0071 0.0073 0.0085 0.0089 0.0057 0.0059 0.0067 0.0063 0.0069 0.0071 0.0069 0.0076 0.0084 0.0074 0.0071 0.0071 0.0089 0.0088 0.0078 0.0074 0.0069 0.0080 0.0078 0.0064 0.0042 0.0041 0.0049 0.0048 0.0043 0.0058 0.0056 0.0058 0.0058 0.0051 0.0036 0.0039 0.0032 0.0038 0.0035 0.0101 0.0101 0.0100 0.0100 0.0094 0.0090 0.0089 0.0089 0.0093 0.0089 0.0051 0.0057 0.0055 0.0028 0.0054 0.0113 0.0113 0.0122 0.0128 0.0123 0.0056 0.0045 0.0046 0.0041 0.0044 0.0104 0.0104 0.0098 0.0106 0.0097 0.0050 0.0055 0.0058 0.0047 0.0048 0.0134 0.0121 0.0125 0.0126 0.0123 Serine 0.0016 0.0017 0.0017 0.0019 0.0021 0.0015 0.0015 0.0016 0.0015 0.0017 0.0020 0.0020 0.0022 0.0023 0.0021 0.0018 0.0018 0.0020 0.0021 0.0019 0.0020 0.0019 0.0019 0.0019 0.0018 0.0010 0.0010 0.0010 0.0010 0.0010 0.0019 0.0018 0.0019 0.0019 0.0018 0.0008 0.0007 0.0007 0.0007 0.0008 0.0025 0.0026 0.0025 0.0025 0.0023 0.0021 0.0023 0.0024 0.0025 0.0023 0.0013 0.0015 0.0015 0.0015 0.0016 0.0035 0.0034 0.0035 0.0034 0.0034 0.0016 0.0016 0.0017 0.0016 0.0016 0.0030 0.0032 0.0032 0.0032 0.0031 0.0017 0.0017 0.0018 0.0017 0.0016 0.0029 0.0030 0.0030 0.0030 0.0032 Threonine 0.0018 0.0018 0.0020 0.0023 0.0026 0.0014 0.0016 0.0016 0.0016 0.0017 0.0027 0.0027 0.0029 0.0033 0.0028 0.0027 0.0027 0.0032 0.0035 0.0030 0.0028 0.0028 0.0032 0.0030 0.0029 0.0032 0.0031 0.0037 0.0036 0.0033 0.0027 0.0027 0.0028 0.0029 0.0026 0.0018 0.0016 0.0015 0.0017 0.0018 0.0026 0.0026 0.0027 0.0026 0.0025 0.0023 0.0025 0.0023 0.0025 0.0023 0.0014 0.0015 0.0015 0.0015 0.0016 0.0041 0.0040 0.0048 0.0047 0.0045 0.0015 0.0015 0.0016 0.0015 0.0016 0.0046 0.0047 0.0046 0.0049 0.0048 0.0016 0.0017 0.0019 0.0017 0.0016 0.0068 0.0071 0.0071 0.0075 0.0074 Tryptophan 0.0025 0.0025 0.0028 0.0031 0.0031 0.0022 0.0022 0.0024 0.0022 0.0026 0.0025 0.0026 0.0028 0.0031 0.0024 0.0025 0.0026 0.0031 0.0031 0.0027 0.0026 0.0026 0.0027 0.0026 0.0023 0.0015 0.0014 0.0017 0.0016 0.0015 0.0022 0.0021 0.0020 0.0021 0.0018 0.0013 0.0014 0.0011 0.0013 0.0014 0.0035 0.0034 0.0035 0.0034 0.0031 0.0034 0.0032 0.0030 0.0033 0.0030 0.0019 0.0020 0.0019 0.0019 0.0019 0.0037 0.0037 0.0037 0.0038 0.0037 0.0019 0.0015 0.0015 0.0014 0.0016 0.0033 0.0034 0.0031 0.0033 0.0031 0.0018 0.0019 0.0019 0.0017 0.0017 0.0039 0.0034 0.0034 0.0037 0.0034 Valine 0.0033 0.0033 0.0034 0.0038 0.0041 0.0029 0.0032 0.0031 0.0032 0.0035 0.0036 0.0035 0.0038 0.0042 0.0036 0.0035 0.0033 0.0037 0.0040 0.0036 0.0037 0.0035 0.0042 0.0040 0.0034 0.0024 0.0022 0.0028 0.0026 0.0024 0.0035 0.0035 0.0036 0.0038 0.0035 0.0025 0.0023 0.0022 0.0023 0.0024 0.0049 0.0048 0.0048 0.0046 0.0045 0.0034 0.0039 0.0040 0.0042 0.0040 0.0028 0.0032 0.0032 0.0034 0.0034 0.0049 0.0044 0.0049 0.0053 0.0053 0.0031 0.0025 0.0025 0.0025 0.0026 0.0048 0.0045 0.0043 0.0047 0.0044 0.0027 0.0028 0.0031 0.0027 0.0028 0.0067 0.0062 0.0066 0.0071 0.0067 Tyrosine 0.0063 0.0065 0.0064 0.0071 0.0079 0.0053 0.0058 0.0059 0.0057 0.0063 0.0078 0.0074 0.0083 0.0087 0.0079 0.0078 0.0073 0.0081 0.0088 0.0079 0.0086 0.0080 0.0092 0.0088 0.0079 0.0098 0.0090 0.0103 0.0098 0.0091 0.0083 0.0084 0.0085 0.0080 0.0081 0.0058 0.0061 0.0059 0.0058 0.0063 0.0075 0.0076 0.0073 0.0073 0.0073 0.0057 0.0057 0.0060 0.0065 0.0059 0.0047 0.0053 0.0050 0.0052 0.0053 0.0075 0.0068 0.0075 0.0078 0.0077 0.0055 0.0041 0.0044 0.0042 0.0041 0.0076 0.0074 0.0069 0.0076 0.0073 0.0043 0.0046 0.0050 0.0043 0.0043 0.0117 0.0109 0.0111 0.0119 0.0111 Homocysteine 0.0013 0.0015 0.0014 0.0012 0.0015 0.0011 0.0012 0.0011 0.0012 0.0012 0.0012 0.0012 0.0012 0.0014 0.0013 0.0014 0.0016 0.0017 0.0017 0.0016 0.0010 0.0009 0.0012 0.0010 0.0012 0.0008 0.0008 0.0008 0.0008 0.0009 0.0006 0.0008 0.0006 0.0006 0.0006 0.0003 0.0003 0.0002 0.0003 0.0002 0.0007 0.0007 0.0007 0.0007 0.0007 0.0012 0.0013 0.0013 0.0013 0.0014 0.0006 0.0006 0.0006 0.0006 0.0006 0.0015 0.0014 0.0015 0.0016 0.0015 0.0006 0.0006 0.0006 0.0006 0.0006 0.0013 0.0013 0.0013 0.0013 0.0013 0.0005 0.0005 0.0005 0.0005 0.0005 0.0008 0.0008 0.0008 0.0007 0.0008 Homoserine 0.0018 0.0018 0.0020 0.0023 0.0026 0.0014 0.0016 0.0016 0.0016 0.0017 0.0027 0.0027 0.0029 0.0033 0.0028 0.0027 0.0027 0.0032 0.0035 0.0030 0.0028 0.0028 0.0032 0.0030 0.0029 0.0032 0.0031 0.0037 0.0036 0.0033 0.0027 0.0027 0.0028 0.0029 0.0026 0.0018 0.0016 0.0015 0.0017 0.0018 0.0026 0.0026 0.0027 0.0026 0.0025 0.0023 0.0025 0.0023 0.0025 0.0023 0.0014 0.0015 0.0015 0.0015 0.0016 0.0041 0.0040 0.0048 0.0047 0.0045 0.0015 0.0015 0.0016 0.0014 0.0016 0.0046 0.0047 0.0046 0.0049 0.0048 0.0016 0.0017 0.0019 0.0017 0.0016 0.0068 0.0071 0.0071 0.0075 0.0074 Taurine 0.0356 0.0368 0.0366 0.0416 0.0439 0.0298 0.0296 0.0301 0.0306 0.0303 0.0332 0.0335 0.0351 0.0369 0.0339 0.0304 0.0290 0.0323 0.0330 0.0306 0.0345 0.0341 0.0366 0.0282 0.0345 0.0301 0.0283 0.0324 0.0303 0.0291 0.0356 0.0341 0.0331 0.0335 0.0368 0.0214 0.0219 0.0240 0.0223 0.0236 0.0253 0.0252 0.0245 0.0241 0.0228 0.0175 0.0173 0.0182 0.0188 0.0170 0.0162 0.0165 0.0179 0.0179 0.0175 0.0190 0.0171 0.0200 0.0195 0.0194 0.0062 0.0064 0.0070 0.0065 0.0058 0.0111 0.0114 0.0107 0.0119 0.0099 0.0053 0.0058 0.0062 0.0048 0.0045 0.0212 0.0196 0.0202 0.0216 0.0198 Orotidine 0.0001 0.0001 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 Uracil 0.0015 0.0026 0.0019 0.0030 0.0029 0.0009 0.0014 0.0015 0.0008 0.0015 0.0034 0.0025 0.0026 0.0035 0.0034 0.0021 0.0030 0.0035 0.0034 0.0032 0.0027 0.0029 0.0033 0.0032 0.0034 0.0038 0.0028 0.0046 0.0034 0.0039 0.0027 0.0032 0.0028 0.0028 0.0026 0.0012 0.0017 0.0017 0.0012 0.0018 0.0007 0.0007 0.0006 0.0006 0.0007 0.0011 0.0012 0.0012 0.0012 0.0011 0.0007 0.0009 0.0006 0.0007 0.0007 0.0021 0.0020 0.0022 0.0024 0.0021 0.0007 0.0010 0.0008 0.0007 0.0007 0.0023 0.0025 0.0023 0.0026 0.0020 0.0009 0.0009 0.0011 0.0009 0.0010 0.0025 0.0027 0.0033 0.0025 0.0027 Hypoxanthine 0.0058 0.0047 0.0049 0.0053 0.0055 0.0046 0.0047 0.0042 0.0042 0.0043 0.0712 0.0068 0.0073 0.0083 0.0076 0.0058 0.0050 0.0054 0.0061 0.0051 0.0054 0.0044 0.0041 0.0040 0.0044 0.0031 0.0029 0.0029 0.0027 0.0031 0.0024 0.0021 0.0018 0.0018 0.0018 0.0006 0.0004 0.0004 0.0005 0.0005 0.0095 0.0090 0.0087 0.0083 0.0078 0.0114 0.0096 0.0086 0.0093 0.0100 0.0033 0.0028 0.0031 0.0031 0.0034 0.0088 0.0071 0.0079 0.0074 0.0071 0.0022 0.0016 0.0014 0.0012 0.0013 0.0048 0.0042 0.0035 0.0040 0.0038 0.0011 0.0010 0.0010 0.0007 0.0010 0.0054 0.0041 0.0036 0.0033 0.0043 Cytidine 0.0190 0.0193 0.0188 0.0211 0.0222 0.0189 0.0201 0.0203 0.0207 0.0224 0.0178 0.0182 0.0184 0.0199 0.0184 0.0177 0.0181 0.0192 0.0205 0.0181 0.0147 0.0158 0.0167 0.0157 0.0159 0.0053 0.0058 0.0068 0.0062 0.0058 0.0099 0.0117 0.0107 0.0105 0.0106 0.0061 0.0068 0.0064 0.0072 0.0068 0.0204 0.0203 0.0207 0.0208 0.0206 0.0246 0.0268 0.0275 0.0278 0.0268 0.0199 0.0232 0.0221 0.0216 0.0209 0.0264 0.0270 0.0294 0.0275 0.0276 0.0133 0.0157 0.0167 0.0158 0.0163 0.0233 0.0229 0.0226 0.0242 0.0235 0.0125 0.0130 0.0125 0.0142 0.0148 0.0207 0.0206 0.0203 0.0211 0.0205 ADP 0.0141 0.0126 0.0134 0.0150 0.0154 0.0146 0.0164 0.0147 0.0146 0.0165 0.0224 0.0238 0.0253 0.0257 0.0247 0.0133 0.0154 0.0184 0.0205 0.0199 0.0329 0.0322 0.0380 0.0360 0.0335 0.0255 0.0294 0.0260 0.0264 0.0259 0.0413 0.0443 0.0429 0.0421 0.0429 0.0253 0.0231 0.0249 0.0270 0.0272 0.0158 0.0159 0.0159 0.0152 0.0160 0.0128 0.0129 0.0125 0.0124 0.0112 0.0094 0.0109 0.0106 0.0106 0.0112 0.0169 0.0166 0.0176 0.0163 0.0174 0.0065 0.0070 0.0074 0.0075 0.0080 0.0183 0.0210 0.0200 0.0195 0.0177 0.0057 0.0085 0.0095 0.0063 0.0074 0.0221 0.0227 0.0233 0.0270 0.0241 CDP 0.0030 0.0032 0.0031 0.0031 0.0033 0.0024 0.0026 0.0024 0.0024 0.0026 0.0027 0.0029 0.0031 0.0030 0.0027 0.0032 0.0034 0.0037 0.0040 0.0037 0.0022 0.0024 0.0023 0.0024 0.0023 0.0020 0.0022 0.0022 0.0023 0.0022 0.0013 0.0017 0.0017 0.0015 0.0015 0.0009 0.0009 0.0008 0.0008 0.0009 0.0027 0.0030 0.0021 0.0021 0.0027 0.0027 0.0027 0.0028 0.0025 0.0024 0.0020 0.0023 0.0020 0.0023 0.0024 0.0031 0.0030 0.0031 0.0027 0.0031 0.0010 0.0012 0.0012 0.0011 0.0012 0.0025 0.0027 0.0026 0.0023 0.0025 0.0006 0.0008 0.0009 0.0007 0.0006 0.0016 0.0016 0.0016 0.0018 0.0017 UDP 0.0079 0.0082 0.0076 0.0084 0.0089 0.0075 0.0087 0.0078 0.0077 0.0090 0.0093 0.0100 0.0106 0.0112 0.0107 0.0115 0.0130 0.0149 0.0154 0.0144 0.0085 0.0101 0.0097 0.0098 0.0101 0.0094 0.0100 0.0103 0.0105 0.0105 0.0052 0.0069 0.0060 0.0056 0.0062 0.0030 0.0029 0.0028 0.0028 0.0030 0.0075 0.0079 0.0069 0.0068 0.0077 0.0073 0.0080 0.0072 0.0073 0.0068 0.0032 0.0040 0.0038 0.0035 0.0040 0.0099 0.0099 0.0102 0.0092 0.0098 0.0019 0.0024 0.0023 0.0023 0.0022 0.0090 0.0097 0.0100 0.0094 0.0082 0.0017 0.0024 0.0025 0.0017 0.0018 0.0090 0.0096 0.0093 0.0114 0.0102 ATP 0.0413 0.0418 0.0407 0.0420 0.0430 0.0374 0.0419 0.0387 0.0345 0.0381 0.0429 0.0485 0.0527 0.0524 0.0493 0.0511 0.0581 0.0610 0.0589 0.0554 0.0407 0.0451 0.0468 0.0430 0.0451 0.0533 0.0560 0.0520 0.0496 0.0488 0.0327 0.0339 0.0328 0.0331 0.0323 0.0283 0.0251 0.0241 0.0245 0.0292 0.0435 0.0440 0.0431 0.0366 0.0346 0.0412 0.0415 0.0399 0.0394 0.0352 0.0247 0.0278 0.0268 0.0261 0.0290 0.0518 0.0498 0.0512 0.0468 0.0464 0.0198 0.0210 0.0205 0.0230 0.0233 0.0426 0.0425 0.0452 0.0453 0.0436 0.0217 0.0256 0.0249 0.0221 0.0244 0.0460 0.0507 0.0497 0.0451 0.0444 CTP 0.0081 0.0081 0.0080 0.0070 0.0074 0.0067 0.0071 0.0076 0.0062 0.0064 0.0084 0.0083 0.0080 0.0083 0.0082 0.0069 0.0062 0.0070 0.0070 0.0077 0.0056 0.0047 0.0051 0.0046 0.0051 0.0031 0.0037 0.0030 0.0030 0.0031 0.0020 0.0028 0.0023 0.0022 0.0024 0.0011 0.0009 0.0009 0.0010 0.0013 0.0083 0.0091 0.0088 0.0093 0.0096 0.0081 0.0084 0.0069 0.0079 0.0073 0.0055 0.0064 0.0066 0.0067 0.0071 0.0095 0.0098 0.0097 0.0091 0.0089 0.0034 0.0036 0.0037 0.0035 0.0036 0.0068 0.0060 0.0063 0.0059 0.0052 0.0020 0.0021 0.0023 0.0019 0.0021 0.0039 0.0040 0.0038 0.0038 0.0042 TTP 0.0008 0.0008 0.0008 0.0008 0.0008 0.0005 0.0006 0.0004 0.0005 0.0005 0.0008 0.0009 0.0009 0.0010 0.0009 0.0005 0.0006 0.0006 0.0007 0.0006 0.0007 0.0008 0.0007 0.0007 0.0007 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 0.0005 0.0004 0.0005 0.0005 0.0002 0.0002 0.0002 0.0003 0.0002 0.0006 0.0005 0.0005 0.0005 0.0005 0.0007 0.0007 0.0007 0.0007 0.0006 0.0003 0.0004 0.0003 0.0004 0.0004 0.0006 0.0006 0.0006 0.0005 0.0005 0.0003 0.0003 0.0003 0.0004 0.0003 0.0005 0.0004 0.0004 0.0005 0.0004 0.0003 0.0003 0.0003 0.0002 0.0002 0.0004 0.0004 0.0004 0.0004 0.0004 UTP 0.0196 0.0208 0.0203 0.0201 0.0200 0.0198 0.0225 0.0219 0.0178 0.0198 0.0275 0.0279 0.0304 0.0288 0.0280 0.0160 0.0176 0.0213 0.0199 0.0186 0.0257 0.0259 0.0269 0.0265 0.0254 0.0178 0.0194 0.0179 0.0175 0.0173 0.0072 0.0103 0.0084 0.0086 0.0093 0.0051 0.0039 0.0041 0.0041 0.0052 0.0224 0.0248 0.0212 0.0203 0.0193 0.0248 0.0260 0.0263 0.0250 0.0222 0.0084 0.0097 0.0097 0.0088 0.0111 0.0309 0.0320 0.0318 0.0290 0.0282 0.0058 0.0061 0.0061 0.0065 0.0064 0.0230 0.0212 0.0229 0.0218 0.0202 0.0040 0.0049 0.0053 0.0040 0.0051 0.0222 0.0261 0.0227 0.0221 0.0241 dCDP 0.0001 0.0001 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 dGDP 0.0141 0.0126 0.0134 0.0150 0.0154 0.0146 0.0164 0.0147 0.0146 0.0165 0.0224 0.0238 0.0253 0.0257 0.0247 0.0233 0.0254 0.0204 0.0205 0.0199 0.0329 0.0322 0.0380 0.0360 0.0335 0.0195 0.0204 0.0210 0.0214 0.0210 0.0413 0.0443 0.0429 0.0421 0.0429 0.0253 0.0231 0.0249 0.0270 0.0272 0.0158 0.0159 0.0159 0.0152 0.0160 0.0128 0.0129 0.0125 0.0124 0.0112 0.0094 0.0109 0.0106 0.0106 0.0112 0.0169 0.0166 0.0176 0.0163 0.0174 0.0065 0.0070 0.0074 0.0075 0.0080 0.0183 0.0210 0.0200 0.0195 0.0177 0.0057 0.0085 0.0095 0.0063 0.0074 0.0221 0.0227 0.0233 0.0270 0.0241 dTDP 0.0002 0.0004 0.0003 0.0003 0.0004 0.0002 0.0002 0.0003 0.0002 0.0003 0.0005 0.0005 0.0006 0.0005 0.0005 0.0002 0.0002 0.0004 0.0004 0.0003 0.0003 0.0004 0.0005 0.0004 0.0004 0.0002 0.0002 0.0002 0.0002 0.0002 0.0003 0.0003 0.0003 0.0003 0.0003 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 0.0002 0.0001 0.0002 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 dCTP 0.0004 0.0004 0.0004 0.0004 0.0005 0.0002 0.0003 0.0004 0.0003 0.0004 0.0004 0.0005 0.0005 0.0005 0.0005 0.0003 0.0004 0.0004 0.0004 0.0005 0.0004 0.0004 0.0005 0.0004 0.0004 0.0004 0.0004 0.0005 0.0004 0.0004 0.0002 0.0003 0.0003 0.0003 0.0003 0.0002 0.0001 0.0001 0.0001 0.0001 0.0004 0.0004 0.0005 0.0005 0.0005 0.0004 0.0004 0.0004 0.0004 0.0004 0.0002 0.0003 0.0003 0.0002 0.0003 0.0005 0.0005 0.0005 0.0005 0.0006 0.0002 0.0002 0.0002 0.0002 0.0002 0.0004 0.0005 0.0004 0.0005 0.0004 0.0001 0.0002 0.0002 0.0001 0.0001 0.0004 0.0004 0.0004 0.0003 0.0003 dGTP 0.0413 0.0418 0.0407 0.0420 0.0430 0.0374 0.0419 0.0387 0.0345 0.0381 0.0529 0.0585 0.0527 0.0524 0.0593 0.0511 0.0481 0.0510 0.0489 0.0453 0.0407 0.0451 0.0468 0.0430 0.0451 0.0333 0.0360 0.0320 0.0396 0.0388 0.0397 0.0389 0.0428 0.0391 0.0423 0.0283 0.0251 0.0241 0.0245 0.0292 0.0435 0.0440 0.0431 0.0366 0.0346 0.0412 0.0415 0.0399 0.0394 0.0352 0.0247 0.0278 0.0268 0.0261 0.0290 0.0518 0.0498 0.0512 0.0468 0.0464 0.0198 0.0210 0.0205 0.0230 0.0233 0.0426 0.0425 0.0452 0.0453 0.0436 0.0217 0.0256 0.0249 0.0221 0.0244 0.0460 0.0507 0.0497 0.0451 0.0444 dCMP 0.0019 0.0009 0.0010 0.0010 0.0011 0.0013 0.0008 0.0007 0.0008 0.0009 0.0016 0.0010 0.0012 0.0014 0.0012 0.0015 0.0011 0.0010 0.0016 0.0014 0.0018 0.0010 0.0011 0.0009 0.0010 0.0017 0.0010 0.0008 0.0008 0.0009 0.0017 0.0013 0.0010 0.0008 0.0009 0.0003 0.0004 0.0003 0.0003 0.0003 0.0015 0.0010 0.0010 0.0010 0.0008 0.0024 0.0011 0.0010 0.0011 0.0012 0.0010 0.0005 0.0006 0.0007 0.0006 0.0015 0.0008 0.0010 0.0008 0.0008 0.0014 0.0009 0.0008 0.0005 0.0006 0.0017 0.0015 0.0010 0.0011 0.0011 0.0007 0.0006 0.0006 0.0006 0.0006 0.0011 0.0010 0.0009 0.0009 0.0011 NAD+ 0.0033 0.0037 0.0034 0.0035 0.0037 0.0029 0.0033 0.0032 0.0028 0.0033 0.0035 0.0037 0.0035 0.0034 0.0040 0.0037 0.0041 0.0042 0.0044 0.0041 0.0030 0.0036 0.0029 0.0028 0.0031 0.0025 0.0028 0.0025 0.0024 0.0026 0.0030 0.0029 0.0027 0.0030 0.0029 0.0017 0.0019 0.0018 0.0019 0.0018 0.0021 0.0019 0.0020 0.0020 0.0019 0.0020 0.0024 0.0022 0.0020 0.0021 0.0019 0.0020 0.0020 0.0020 0.0020 0.0047 0.0045 0.0042 0.0046 0.0046 0.0011 0.0014 0.0014 0.0012 0.0014 0.0035 0.0041 0.0038 0.0036 0.0038 0.0014 0.0016 0.0015 0.0013 0.0014 0.0044 0.0045 0.0040 0.0036 0.0043 NADH 0.0004 0.0004 0.0004 0.0006 0.0005 0.0004 0.0006 0.0006 0.0004 0.0004 0.0006 0.0006 0.0008 0.0009 0.0009 0.0007 0.0005 0.0007 0.0005 0.0008 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0002 0.0002 0.0003 0.0002 0.0005 0.0005 0.0005 0.0005 0.0005 0.0005 0.0006 0.0005 0.0006 0.0005 0.0032 0.0035 0.0029 0.0028 0.0030 0.0023 0.0027 0.0027 0.0027 0.0026 0.0022 0.0024 0.0024 0.0024 0.0026 0.0031 0.0044 0.0026 0.0036 0.0035 0.0010 0.0013 0.0012 0.0011 0.0013 0.0033 0.0027 0.0035 0.0035 0.0035 0.0009 0.0010 0.0010 0.0008 0.0010 0.0020 0.0022 0.0019 0.0016 0.0021 NADP+ 0.0002 0.0002 0.0002 0.0002 0.0003 0.0002 0.0002 0.0002 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0001 0.0001 0.0000 0.0001 0.0000 0.0001 0.0001 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0002 0.0002 0.0002 0.0002 0.0001 NADPH 0.0001 0.0002 0.0001 0.0002 0.0002 0.0001 0.0001 0.0002 0.0003 0.0001 0.0004 0.0002 0.0005 0.0004 0.0004 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0007 0.0008 0.0010 0.0007 0.0007 0.0005 0.0005 0.0005 0.0005 0.0005 0.0002 0.0002 0.0002 0.0002 0.0003 0.0008 0.0008 0.0009 0.0006 0.0007 0.0001 0.0002 0.0001 0.0001 0.0002 0.0006 0.0005 0.0006 0.0006 0.0007 0.0001 0.0001 0.0001 0.0001 0.0001 0.0003 0.0003 0.0003 0.0001 0.0003 Oxidized glutathione 0.0112 0.0011 0.0126 0.0137 0.0123 0.0082 0.0111 0.0097 0.0103 0.0104 0.0102 0.0085 0.0085 0.0103 0.0096 0.0075 0.0077 0.0072 0.0076 0.0065 0.0110 0.0108 0.0104 0.0128 0.0113 0.0069 0.0084 0.0071 0.0076 0.0071 0.0100 0.0118 0.0114 0.0105 0.0102 0.0077 0.0096 0.0085 0.0080 0.0077 0.0090 0.0089 0.0084 0.0086 0.0085 0.0154 0.0137 0.0141 0.0165 0.0155 0.0087 0.0091 0.0083 0.0091 0.0096 0.0116 0.0108 0.0110 0.0102 0.0105 0.0099 0.0082 0.0082 0.0088 0.0087 0.0146 0.0147 0.0183 0.0132 0.0131 0.0070 0.0075 0.0070 0.0071 0.0076 0.0123 0.0116 0.0122 0.0110 0.0105 Reduced glutathione 0.3410 0.3880 0.3750 0.4270 0.4610 0.2650 0.2890 0.3060 0.3010 0.3340 0.4000 0.3970 0.4080 0.4360 0.3960 0.3330 0.3390 0.3520 0.3350 0.4010 0.2780 0.2760 0.2990 0.3100 0.3070 0.2750 0.2940 0.2890 0.3040 0.2980 0.1600 0.1920 0.1670 0.1640 0.1730 0.1390 0.1440 0.1420 0.1450 0.1480 0.2140 0.2280 0.2220 0.2240 0.2200 0.2800 0.2870 0.2910 0.3020 0.2870 0.1470 0.1700 0.1530 0.1550 0.1560 0.2990 0.3000 0.3190 0.3010 0.2890 0.1060 0.1210 0.1210 0.1250 0.1200 0.3120 0.3210 0.3070 0.3310 0.3140 0.0859 0.1070 0.1050 0.0822 0.0927 0.2250 0.2350 0.2270 0.2280 0.2220 Glucose-6-phosphate 0.0024 0.0025 0.0024 0.0028 0.0029 0.0023 0.0025 0.0023 0.0021 0.0022 0.0026 0.0027 0.0030 0.0032 0.0032 0.0019 0.0023 0.0017 0.0020 0.0019 0.0028 0.0029 0.0034 0.0032 0.0030 0.0021 0.0017 0.0018 0.0020 0.0020 0.0025 0.0032 0.0032 0.0029 0.0029 0.0007 0.0007 0.0008 0.0007 0.0007 0.0025 0.0020 0.0023 0.0024 0.0020 0.0026 0.0029 0.0028 0.0020 0.0030 0.0016 0.0020 0.0018 0.0018 0.0020 0.0025 0.0024 0.0027 0.0025 0.0025 0.0014 0.0015 0.0015 0.0014 0.0014 0.0026 0.0026 0.0026 0.0028 0.0024 0.0014 0.0014 0.0015 0.0014 0.0015 0.0027 0.0027 0.0028 0.0023 0.0027 Fructose 1,6-bisphosphate 0.0042 0.0042 0.0036 0.0036 0.0046 0.0043 0.0047 0.0042 0.0039 0.0039 0.0035 0.0034 0.0041 0.0041 0.0039 0.0035 0.0036 0.0034 0.0036 0.0036 0.0052 0.0046 0.0052 0.0053 0.0051 0.0033 0.0027 0.0034 0.0033 0.0027 0.0024 0.0025 0.0023 0.0032 0.0028 0.0016 0.0016 0.0016 0.0017 0.0018 0.0044 0.0051 0.0072 0.0058 0.0056 0.0065 0.0064 0.0068 0.0074 0.0069 0.0104 0.0129 0.0121 0.0120 0.0128 0.0083 0.0099 0.0091 0.0093 0.0082 0.0046 0.0052 0.0052 0.0054 0.0054 0.0049 0.0047 0.0050 0.0050 0.0052 0.0030 0.0032 0.0008 0.0031 0.0030 0.0048 0.0059 0.0051 0.0046 0.0058 Glyceraldehyde-3-phosphate 0.0006 0.0007 0.0008 0.0009 0.0012 0.0004 0.0005 0.0005 0.0005 0.0007 0.0007 0.0008 0.0008 0.0007 0.0007 0.0005 0.0006 0.0008 0.0008 0.0007 0.0004 0.0005 0.0005 0.0005 0.0005 0.0004 0.0004 0.0005 0.0005 0.0005 0.0003 0.0004 0.0004 0.0003 0.0003 0.0002 0.0002 0.0001 0.0001 0.0002 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 0.0003 0.0006 0.0006 0.0005 0.0006 0.0006 0.0006 0.0007 0.0008 0.0007 0.0006 0.0004 0.0003 0.0003 0.0003 0.0003 0.0005 0.0004 0.0004 0.0004 0.0004 0.0003 0.0003 0.0002 0.0002 0.0003 0.0004 0.0004 0.0004 0.0004 0.0004 3-Phosphoglyceric acid 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0003 0.0003 0.0003 0.0003 0.0003 0.0004 0.0004 0.0004 0.0004 0.0002 0.0002 0.0002 0.0002 0.0002 0.0006 0.0007 0.0006 0.0007 0.0007 0.0002 0.0001 0.0001 0.0002 0.0001 0.0005 0.0004 0.0005 0.0005 0.0004 0.0001 0.0001 0.0001 0.0001 0.0002 0.0004 0.0004 0.0004 0.0002 0.0004 Pyruvic acid 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0004 0.0004 0.0003 0.0004 0.0004 0.0002 0.0003 0.0002 0.0002 0.0022 0.0004 0.0003 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0002 0.0002 0.0004 0.0004 0.0004 0.0004 0.0004 0.0002 0.0001 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 0.0002 0.0003 0.0001 0.0001 0.0001 0.0001 0.0001 0.0005 0.0004 0.0004 0.0004 0.0005 0.0001 0.0001 0.0001 0.0001 0.0001 0.0004 0.0003 0.0003 0.0004 0.0005 0.0001 0.0001 0.0001 0.0001 0.0001 0.0008 0.0010 0.0010 0.0008 0.0008 Lactic acid 0.0167 0.0178 0.0154 0.0164 0.0202 0.0110 0.0124 0.0118 0.0113 0.0121 0.0456 0.0457 0.0474 0.0435 0.0458 0.0412 0.0399 0.0370 0.0396 0.0372 0.0388 0.0363 0.0368 0.0373 0.0407 0.0257 0.0262 0.0245 0.0243 0.0236 0.0339 0.0367 0.0284 0.0312 0.0303 0.0190 0.0130 0.0127 0.0140 0.0159 0.0145 0.0151 0.0107 0.0117 0.0126 0.0195 0.0172 0.0166 0.0226 0.0189 0.0105 0.0098 0.0106 0.0127 0.0142 0.0656 0.0455 0.0571 0.0575 0.0508 0.0218 0.0113 0.0093 0.0086 0.0102 0.0472 0.0538 0.0445 0.0470 0.0475 0.0095 0.0100 0.0098 0.0076 0.0105 0.1090 0.0906 0.0819 0.0793 0.0898 Acetyl-CoA 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 Oxaloacetate 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 Citrate 0.0504 0.0540 0.0538 0.0584 0.0647 0.0273 0.0278 0.0263 0.0256 0.0302 0.0670 0.0727 0.0695 0.0734 0.0690 0.0443 0.0477 0.0377 0.0423 0.0471 0.0784 0.0736 0.0821 0.0833 0.0768 0.0410 0.0406 0.0439 0.0508 0.0447 0.0559 0.0638 0.0601 0.0551 0.0592 0.0344 0.0352 0.0329 0.0367 0.0370 0.0106 0.0102 0.0101 0.0100 0.0098 0.0211 0.0212 0.0217 0.0215 0.0212 0.0131 0.0132 0.0122 0.0130 0.0135 0.0406 0.0410 0.0458 0.0445 0.0443 0.0147 0.0185 0.0146 0.0141 0.0139 0.0462 0.0454 0.0444 0.0498 0.0425 0.0203 0.0205 0.0221 0.0183 0.0185 0.0532 0.0545 0.0529 0.0469 0.0507 Aconitate 0.0013 0.0014 0.0014 0.0017 0.0016 0.0006 0.0007 0.0007 0.0007 0.0004 0.0019 0.0019 0.0018 0.0018 0.0019 0.0012 0.0014 0.0013 0.0012 0.0012 0.0017 0.0017 0.0017 0.0018 0.0019 0.0014 0.0014 0.0013 0.0012 0.0012 0.0016 0.0017 0.0016 0.0015 0.0015 0.0009 0.0008 0.0008 0.0007 0.0009 0.0003 0.0003 0.0003 0.0003 0.0003 0.0005 0.0006 0.0007 0.0005 0.0005 0.0003 0.0004 0.0003 0.0003 0.0003 0.0011 0.0011 0.0011 0.0012 0.0012 0.0004 0.0005 0.0004 0.0004 0.0004 0.0013 0.0013 0.0012 0.0014 0.0010 0.0005 0.0005 0.0005 0.0005 0.0005 0.0013 0.0015 0.0018 0.0012 0.0013 α-Ketoglutarate 0.0010 0.0010 0.0009 0.0010 0.0011 0.0009 0.0009 0.0009 0.0009 0.0009 0.0016 0.0017 0.0017 0.0018 0.0017 0.0011 0.0011 0.0010 0.0010 0.0009 0.0010 0.0010 0.0010 0.0010 0.0010 0.0006 0.0006 0.0007 0.0006 0.0007 0.0006 0.0006 0.0005 0.0005 0.0005 0.0004 0.0004 0.0003 0.0003 0.0003 0.0004 0.0004 0.0004 0.0004 0.0004 0.0007 0.0006 0.0006 0.0006 0.0006 0.0002 0.0003 0.0003 0.0002 0.0002 0.0012 0.0010 0.0011 0.0011 0.0010 0.0003 0.0003 0.0002 0.0003 0.0003 0.0009 0.0008 0.0009 0.0008 0.0008 0.0002 0.0003 0.0003 0.0002 0.0002 0.0008 0.0008 0.0007 0.0006 0.0007 Succinate 0.0020 0.0019 0.0021 0.0020 0.0022 0.0013 0.0014 0.0014 0.0014 0.0013 0.0023 0.0026 0.0026 0.0028 0.0025 0.0015 0.0016 0.0015 0.0017 0.0016 0.0018 0.0017 0.0015 0.0018 0.0016 0.0011 0.0011 0.0011 0.0011 0.0011 0.0013 0.0013 0.0011 0.0011 0.0011 0.0008 0.0008 0.0007 0.0008 0.0009 0.0008 0.0007 0.0005 0.0006 0.0006 0.0008 0.0008 0.0008 0.0008 0.0009 0.0004 0.0005 0.0005 0.0005 0.0007 0.0017 0.0017 0.0019 0.0019 0.0020 0.0005 0.0004 0.0004 0.0004 0.0005 0.0014 0.0015 0.0015 0.0016 0.0015 0.0003 0.0004 0.0004 0.0004 0.0004 0.0014 0.0015 0.0015 0.0015 0.0014 Fumarate 0.0075 0.0079 0.0084 0.0086 0.0096 0.0078 0.0076 0.0071 0.0070 0.0077 0.0105 0.0096 0.0105 0.0103 0.0098 0.0076 0.0078 0.0082 0.0079 0.0077 0.0082 0.0083 0.0083 0.0085 0.0084 0.0045 0.0047 0.0048 0.0052 0.0050 0.0044 0.0050 0.0043 0.0039 0.0041 0.0018 0.0018 0.0016 0.0020 0.0020 0.0044 0.0043 0.0043 0.0041 0.0042 0.0075 0.0074 0.0075 0.0075 0.0075 0.0032 0.0041 0.0036 0.0036 0.0037 0.0103 0.0097 0.0098 0.0101 0.0097 0.0034 0.0036 0.0034 0.0035 0.0034 0.0081 0.0081 0.0084 0.0082 0.0083 0.0029 0.0030 0.0032 0.0026 0.0025 0.0049 0.0050 0.0050 0.0046 0.0045 Malate 0.0305 0.0297 0.0326 0.0337 0.0392 0.0255 0.0277 0.0268 0.0253 0.0277 0.0463 0.0435 0.0461 0.0434 0.0470 0.0301 0.0302 0.0306 0.0294 0.0280 0.0253 0.0255 0.0263 0.0257 0.0250 0.0144 0.0125 0.0121 0.0138 0.0147 0.0149 0.0169 0.0146 0.0149 0.0162 0.0060 0.0052 0.0049 0.0059 0.0056 0.0148 0.0151 0.0136 0.0131 0.0128 0.0264 0.0253 0.0246 0.0251 0.0260 0.0102 0.0113 0.0109 0.0109 0.0126 0.0340 0.0313 0.0335 0.0305 0.0303 0.0096 0.0118 0.0095 0.0089 0.0094 0.0265 0.0267 0.0259 0.0264 0.0258 0.0075 0.0082 0.0104 0.0073 0.0075 0.0153 0.0147 0.0136 0.0124 0.0138 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z PubChem ID KEGG ID Alanine 88.0403 5950 C00041 Aspartate 132.0304 5960 C00049 Glutamate 146.0457 33032 C00025 Glutamine 145.0624 5961 C00064 Glycine 74.0247 750 C00037 Histidine 154.0617 6274 C00135 Leucine 130.0872 6106 C00123 Methionine 148.0439 6137 C00073 Phenylalanine 164.0716 6140 C00079 Serine 104.0352 5951 C00065 Threonine 118.0511 6288 C00188 Tryptophan 203.0826 6305 C00078 Valine 116.0720 6287 C00183 Tyrosine 180.0665 6057 C00082 Homocysteine 134.0285 91552 C00155 Homoserine 118.0511 779 C0026 Taurine 124.0074 1123 C00245 Orotidine 287.0531 92751 - Uracil 111.0198 1174 C00106 Hypoxanthine 135.0300 135398638 C00262 Cytidine 242.0801 6175 C00475 ADP 426.0212 6022 C00008 CDP 402.0105 6132 C00112 UDP 402.9937 6031 C00015 ATP 505.9881 5957 C00002 CTP 481.9765 6176 C00063 TTP 480.9809 64968 C00459 UTP 482.9606 6133 C00075 dCDP 386.0142 150855 C00705 dGDP 426.0209 135398595 C00361 dTDP 401.0129 164628 C00363 dCTP 465.9815 65091 C00458 dGTP 505.9881 135398599 C00286 dCMP 306.0479 13945 C00239 NAD+ 662.1016 5892 C00003 NADH 664.1180 439153 C00004 NADP+ 742.0654 5886 C00006 NADPH 744.0816 5884 C00005 Oxidized glutathione 611.1418 65359 C00127 Reduced glutathione 306.0752 124886 C00051 Glucose-6-phosphate 259.0215 439958 C00668 Fructose 1,6-bisphosphate 338.9874 445557 C05378 Glyceraldehyde-3-phosphate 168.9912 729 C00118 3-Phosphoglyceric acid 184.9839 439183 C00197 Pyruvic acid 87.0088 1060 C00022 Lactic acid 89.0236 612 C00186 Acetyl-CoA 808.1179 444493 C00024 Oxaloacetate 130.9989 970 C00036 Citrate 191.0198 311 C00158 Aconitate 173.0090 444212 C00417 α-Ketoglutarate 145.0142 51 C00026 Succinate 117.0192 160419 C00042 Fumarate 115.0035 5460307 C00122 Malate 133.0141 525 C00149 METABOLITES_END #END