#METABOLOMICS WORKBENCH pramodwangikar_20220728_214433 DATATRACK_ID:3369 STUDY_ID:ST002245 ANALYSIS_ID:AN003665 PROJECT_ID:PR001433 VERSION 1 CREATED_ON August 6, 2022, 1:35 am #PROJECT PR:PROJECT_TITLE Comparative Metabolome Profiling of Synechococcus elongatus PCC 11801 and 11802 PR:PROJECT_SUMMARY The project aims to identify the metabolic differences between two promising PR:PROJECT_SUMMARY non-model cyanobacterial strains, Synechococcus elongatus PCC 11801 and PCC PR:PROJECT_SUMMARY 11802. PR:INSTITUTE Indian Institute of Technology Bombay PR:DEPARTMENT Chemical Engineering PR:LABORATORY Biosystems and Bioengineering Lab PR:LAST_NAME Wangikar PR:FIRST_NAME Pramod PR:ADDRESS Biosystems and Bioengineering Lab, Department of Chemical Engineering, IIT PR:ADDRESS Bombay, Powai, Mumbai, Maharashtra, India -400076 PR:EMAIL wangikar@iitb.ac.in PR:PHONE +91 22 2576 72 32 PR:FUNDING_SOURCE Department of Biotechnology, Ministry of Science, India #STUDY ST:STUDY_TITLE Deciphering the metabolomic differences between two fast-growing cyanobacteria, ST:STUDY_TITLE S.elongatus PCC 11801 and 11802 via metabolite profiling ST:STUDY_SUMMARY The study aims to identify the metabolic differences between two promising ST:STUDY_SUMMARY fast-growing, non-model cyanobacterial strains, S. elongatus PCC 11801 and PCC ST:STUDY_SUMMARY 11802. To this end, experiments were carried out to measure metabolite levels in ST:STUDY_SUMMARY the two cyanobacterial strains grown in shake flasks at a similar light ST:STUDY_SUMMARY intensity of approx. 300-350 µmole photons.m-2. s-1. The samples for ST:STUDY_SUMMARY metabolomics analysis were collected during the exponential growth phase at an ST:STUDY_SUMMARY optical cell density of 0.5-0.6. Isotopic ratio method was utilized to compare ST:STUDY_SUMMARY the metabolite levels and delineate the differences in their metabolic pathways. ST:INSTITUTE Indian Institute of Technology Bombay ST:DEPARTMENT Chemical Engineering ST:LAST_NAME Wangikar ST:FIRST_NAME Pramod ST:ADDRESS Biosystems and Bioengineering Lab, Department of Chemical Engineering, IIT ST:ADDRESS Bombay, Powai, Mumbai, Maharashtra, India -400076 ST:EMAIL wangikar@iitb.ac.in ST:PHONE +91 22 2576 72 32 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Synechococcus elongatus SU:TAXONOMY_ID 2219813 #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 - 11801 ES BR1 IS IDA-1 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR1 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11801 ES BR1 IS IDA-2 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR1 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11801 ES BR1 IS IDA-3 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR1 IS IDA-3 SUBJECT_SAMPLE_FACTORS - 11801 ES BR2 IS IDA-1 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR2 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11801 ES BR2 IS IDA-2 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR2 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11801 ES BR2 IS IDA-3 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR2 IS IDA-3 SUBJECT_SAMPLE_FACTORS - 11801 ES BR3 IS IDA-1 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR3 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11801 ES BR3 IS IDA-2 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR3 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11801 ES BR3 IS IDA-3 Strain:S.elongatus PCC 11801 RAW_FILE_NAME=11801 ES BR3 IS IDA-3 SUBJECT_SAMPLE_FACTORS - 11802 ES BR1 IS IDA-1 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR1 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11802 ES BR1 IS IDA-2 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR1 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11802 ES BR1 IS IDA-3 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR1 IS IDA-3 SUBJECT_SAMPLE_FACTORS - 11802 ES BR2 IS IDA-1 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR2 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11802 ES BR2 IS IDA-2 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR2 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11802 ES BR2 IS IDA-3 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR2 IS IDA-3 SUBJECT_SAMPLE_FACTORS - 11802 ES BR3 IS IDA-1 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR3 IS IDA-1 SUBJECT_SAMPLE_FACTORS - 11802 ES BR3 IS IDA-2 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR3 IS IDA-2 SUBJECT_SAMPLE_FACTORS - 11802 ES BR3 IS IDA-3 Strain:S.elongatus PCC 11802 RAW_FILE_NAME=11802 ES BR3 IS IDA-3 #COLLECTION CO:COLLECTION_SUMMARY Experiments were carried out by growing Synechococcus elongatus PCC 11801 and CO:COLLECTION_SUMMARY PCC 11802 cells in shake flask under continuous light conditions. The light CO:COLLECTION_SUMMARY intensity was ~300-350 µmole photons m-2 s-1. Twenty mL of culture was CO:COLLECTION_SUMMARY collected at OD730 of ~0.5-0.6. Samples were quenched with methanol and CO:COLLECTION_SUMMARY extracted using the methanol-chloroform-water method. Extracts were stored at CO:COLLECTION_SUMMARY -80°C till LCMS analysis. LCMS analysis was done in the negative ion mode using CO:COLLECTION_SUMMARY the information-dependent acquisition (IDA) method. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY The metabolites were extracted using a methanol-chloroform-water method TR:TREATMENT_SUMMARY described in the "Metabolite Extraction Protocol" file of the collection data. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY One aliquot of the metabolite extract of each sample were reconstituted in SP:SAMPLEPREP_SUMMARY 100µL 50:50 methanol-water and filtered using nylon syringe filters to remove SP:SAMPLEPREP_SUMMARY any particulate matter. The metabolite extract of each test sample was mixed SP:SAMPLEPREP_SUMMARY with equal volume of an extract of the PCC 11801 WT biomass that is fully SP:SAMPLEPREP_SUMMARY labeled with 13C isotopic carbon by growing for ~5 generations in the presence SP:SAMPLEPREP_SUMMARY of NaH13CO3 in modified BG-11 medium. 13C-labeled biomass of PCC 11801 that SP:SAMPLEPREP_SUMMARY acted as an internal standard. The injection volume was 6 µL. The peak areas SP:SAMPLEPREP_SUMMARY corresponding to the 12C and 13C monoisotopic peak for the metabolites of SP:SAMPLEPREP_SUMMARY interest were quantified using MultiQuant 3.0.1 (SCIEX, Framingham, MA). The SP:SAMPLEPREP_SUMMARY relative quantification of metabolites was done using isotopic ratio method by SP:SAMPLEPREP_SUMMARY normalizing area under the peak for monoisotopic m/z of a particular metabolite SP:SAMPLEPREP_SUMMARY by its respective highest possible isotopologue present in the internal standard SP:SAMPLEPREP_SUMMARY giving area ratio. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Phenomenex Synergi Hydro RP 100 A (100 x 2mm, 2.5um) CH:FLOW_GRADIENT The gradient method used is as follows: 0% B (0.01 min), 0% B (2 min), 35% B (8 CH:FLOW_GRADIENT min), 35% B (10.5 min), 90% B (15.50 min), 90% B (20.5 min), 0% B (22 min), and CH:FLOW_GRADIENT 0% B (30 min) CH:FLOW_RATE 0.3 mL/minute CH:SOLVENT_A 10 mM tributylamine + 15mM acetic acid in water CH:SOLVENT_B 100% Methanol #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 peak areas corresponding to the 12C and 13C monoisotopic peak for the MS:MS_COMMENTS metabolites of interest were quantified using MultiQuant 3.0.1 (SCIEX, MS:MS_COMMENTS Framingham, MA). The relative quantification of metabolites was done using MS:MS_COMMENTS isotopic ratio method by normalizing area under the peak for monoisotopic m/z of MS:MS_COMMENTS a particular metabolite by its respective highest possible isotopologue present MS:MS_COMMENTS in the internal standard giving area ratio. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area Ratios MS_METABOLITE_DATA_START Samples 11801 ES BR1 IS IDA-1 11801 ES BR1 IS IDA-2 11801 ES BR1 IS IDA-3 11801 ES BR2 IS IDA-1 11801 ES BR2 IS IDA-2 11801 ES BR2 IS IDA-3 11801 ES BR3 IS IDA-1 11801 ES BR3 IS IDA-2 11801 ES BR3 IS IDA-3 11802 ES BR1 IS IDA-1 11802 ES BR1 IS IDA-2 11802 ES BR1 IS IDA-3 11802 ES BR2 IS IDA-1 11802 ES BR2 IS IDA-2 11802 ES BR2 IS IDA-3 11802 ES BR3 IS IDA-1 11802 ES BR3 IS IDA-2 11802 ES BR3 IS IDA-3 Factors Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11801 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 Strain:S.elongatus PCC 11802 RuBP 0.77 0.82 0.82 1.16 1.11 1.18 1.05 1.01 0.98 1.63 1.56 1.60 1.18 1.09 1.31 1.14 1.21 1.32 3PGA 0.60 0.62 0.61 0.76 0.76 0.75 0.70 0.72 0.72 0.98 0.96 0.97 0.90 0.84 0.95 0.87 0.87 0.86 GLYCEROL-3-P 3.24 3.69 2.66 2.92 4.03 3.54 2.96 3.60 3.82 5.32 2.29 2.47 3.42 3.53 3.61 3.25 2.99 3.48 FBP 1.01 1.21 1.13 1.41 1.54 1.56 1.24 1.30 1.19 1.40 1.26 1.22 1.20 1.10 1.06 1.57 1.39 1.42 F6P 1.11 1.11 1.11 1.57 1.52 1.56 1.38 1.09 1.46 0.73 0.67 0.83 0.67 0.70 0.84 0.85 0.82 0.76 SBP 0.86 1.10 1.00 0.97 0.92 1.08 0.65 0.65 0.74 0.36 0.34 0.30 0.38 0.36 0.42 0.75 0.84 0.92 S7P 1.49 1.55 1.46 1.97 2.12 2.03 1.80 1.84 1.90 1.04 1.07 1.13 1.06 1.00 0.96 0.91 0.90 0.91 G6P 0.94 1.03 1.02 1.42 1.41 1.36 1.21 1.25 1.21 0.72 0.80 0.70 0.78 0.74 0.69 0.65 0.67 0.67 6PG 0.93 0.89 0.92 1.60 1.42 1.37 1.48 1.51 1.68 0.03 0.09 0.13 0.16 0.14 0.12 0.14 0.15 0.14 PEP 0.75 0.76 0.72 0.93 0.87 0.92 0.79 0.90 0.85 1.55 1.53 1.43 1.51 1.60 1.59 1.43 1.32 1.39 SUCCINATE 1.76 1.92 2.40 2.91 2.04 2.70 2.73 2.27 2.68 2.96 4.67 3.63 2.01 3.10 2.76 2.47 2.78 2.79 SUCROSE-6-P 0.09 0.11 0.09 0.13 0.16 0.13 0.11 0.11 0.13 0.49 0.50 0.48 0.81 0.78 0.75 0.45 0.46 0.45 SUCROSE 0.15 0.15 0.15 0.20 0.20 0.20 0.20 0.20 0.19 0.24 0.25 0.26 0.27 0.26 0.27 0.23 0.23 0.22 ADP-glucose 26.30 13.88 30.52 22.26 16.20 22.07 14.53 18.11 19.37 13.33 11.61 12.02 8.20 7.20 6.65 8.55 15.28 12.13 UDP-glucose 3.41 3.07 4.33 5.15 4.05 5.34 4.27 3.91 5.00 1.31 1.28 1.19 1.37 1.68 1.45 1.48 1.49 1.29 UDP-Glucuronate 2.50 1.92 2.68 1.99 2.35 2.86 2.32 2.38 2.33 1.80 1.53 1.74 1.70 2.13 1.91 1.83 1.58 1.45 UDP-Xylose 1.76 1.51 1.75 2.07 2.09 2.48 2.01 2.05 2.39 0.59 0.56 0.50 0.68 0.73 0.63 0.56 0.54 0.52 UDP-Nac-glucosamine 20.90 16.22 29.94 30.11 22.21 35.97 20.46 20.89 32.53 11.21 11.20 9.04 7.28 9.62 7.65 13.19 12.83 10.01 dTDP-Rhamnose 11.19 5.71 12.17 7.75 7.43 10.81 6.98 7.64 8.66 4.55 4.22 4.79 3.82 4.11 3.59 4.75 4.04 3.72 GDP-Fucose 5.53 4.62 5.02 3.81 4.57 7.39 5.11 12.25 6.84 1.40 11.65 10.02 8.26 11.65 8.87 11.17 11.34 9.92 GDP-Mannose 4.97 4.77 6.74 7.25 7.08 8.27 5.92 5.89 8.81 3.55 3.44 3.17 2.96 3.01 2.56 4.65 3.97 3.56 CMP-NAc-neuraminic acid 26.04 29.59 35.39 25.07 24.81 34.57 27.04 33.46 33.85 13.46 20.36 11.56 11.35 15.45 12.60 15.94 16.41 11.64 ADP-ribose 1,2 cyclic P 7.84 6.12 9.22 5.78 6.66 9.80 5.97 7.27 7.78 7.06 5.58 6.52 5.66 6.37 5.96 6.48 5.22 5.24 ASP 0.70 0.99 1.07 1.01 1.15 1.28 0.98 1.27 1.30 1.06 0.68 0.46 0.76 0.77 0.93 0.72 0.63 0.59 GLU 0.52 0.53 0.53 0.69 0.71 0.65 0.70 0.72 0.69 1.03 1.00 1.02 0.90 0.89 0.89 0.94 0.93 0.93 GLN 1.19 1.46 1.58 1.58 1.55 1.64 1.38 1.20 1.58 1.45 1.39 1.49 2.17 2.52 2.31 2.31 2.08 2.12 ALA 2.13 1.52 1.16 2.15 2.71 2.88 2.75 2.00 2.78 2.27 2.33 1.97 1.70 1.65 2.33 1.86 1.56 1.29 N-Acetyl-GLU 1.03 1.00 1.04 1.21 1.26 1.19 1.10 1.23 1.23 1.27 1.33 1.28 1.17 1.18 1.20 1.28 1.31 1.34 3-AMINOISOBUTYRIC ACID 0.40 0.37 0.38 0.50 0.51 0.52 0.50 0.50 0.58 0.77 0.76 0.75 0.68 0.69 0.69 0.72 0.70 0.70 PROGLUTAMATE 0.54 0.49 0.51 0.71 0.68 0.66 0.68 0.74 0.72 1.01 1.02 1.10 0.95 0.91 0.98 1.03 1.02 1.01 Oxidized Glutathione 141.60 155.80 229.30 135.90 140.20 193.60 154.60 183.40 192.70 70.55 110.40 60.61 60.75 83.07 67.98 86.33 86.11 62.20 GAMMA-GLU-ALA 2.08 1.34 1.31 1.98 1.57 13.47 2.02 1.59 1.90 0.59 0.68 0.62 0.30 0.61 0.57 0.73 0.56 0.59 GAMMA-GLU-VAL 4.55 4.36 4.11 5.08 5.25 5.12 4.88 5.35 5.20 0.54 0.57 0.52 0.56 0.58 0.54 0.61 0.64 0.62 GAMMA-GLU-ILEU 3.06 2.87 3.09 3.54 3.66 3.68 3.80 3.37 3.67 0.43 0.40 0.43 0.38 0.49 0.41 0.43 0.40 0.45 GAMMA-GLU-LEU 5.11 5.18 5.08 6.17 6.20 6.22 6.10 6.13 5.92 0.36 0.33 0.38 0.37 0.39 0.39 0.42 0.42 0.47 GAMMA-GLU-MET 0.78 0.87 0.91 1.11 1.07 1.10 1.02 0.97 1.13 0.43 0.46 0.49 0.47 0.50 0.54 0.47 0.52 0.50 GAMMA-GLU-PHE 3.88 3.14 3.89 4.41 3.96 4.61 3.42 4.04 3.51 0.91 0.67 0.79 0.88 0.86 0.71 1.11 0.78 1.00 GAMMA-GLU-TRP 1.27 1.33 1.56 1.38 1.17 1.34 1.25 1.77 1.46 0.54 0.61 0.64 0.44 0.55 0.50 0.63 0.50 0.54 GAMMA-GLU-TYR 0.06 0.05 0.04 0.04 0.05 0.04 0.04 0.05 0.05 0.37 0.49 0.40 0.25 0.26 0.24 0.37 0.41 0.34 AMP 4.36 4.20 4.61 5.69 5.32 5.33 5.09 5.29 5.18 1.01 0.98 1.02 1.04 1.09 1.10 1.46 1.51 1.47 ADP 1.18 1.20 1.24 1.57 1.63 1.66 1.46 1.53 1.49 1.58 1.61 1.72 1.37 1.43 1.33 1.47 1.42 1.35 ATP 1.24 1.30 1.33 1.64 1.63 1.65 1.55 1.50 1.53 1.70 1.66 3.34 1.42 1.46 1.47 1.61 1.44 1.48 CMP 12.41 12.16 12.85 15.91 14.51 13.02 13.91 13.34 12.70 0.54 0.58 0.62 0.65 0.82 0.86 0.74 0.76 0.73 CDP 0.74 0.56 0.61 0.84 0.84 0.82 0.82 0.79 1.11 0.74 0.61 0.64 0.61 0.62 0.65 0.41 0.56 0.60 UMP 6.85 6.77 7.29 8.18 8.73 8.20 7.93 7.98 8.18 0.82 0.86 0.81 1.27 1.18 1.18 0.85 0.85 0.93 UDP 1.38 1.49 1.52 2.22 2.13 2.23 1.92 1.99 1.98 0.64 0.66 0.59 0.78 0.80 0.80 0.54 0.48 0.56 GMP 11.02 14.50 11.33 17.02 15.77 17.41 14.65 17.48 16.74 1.43 1.33 1.15 1.84 1.09 1.34 2.29 2.47 2.52 GDP 1.26 1.22 1.18 1.61 1.61 1.64 1.51 1.61 1.44 1.58 1.99 2.06 1.24 1.39 1.75 1.48 1.70 2.03 GTP 1.24 1.15 1.29 1.63 1.67 1.78 1.47 1.55 1.49 1.86 1.77 1.69 1.45 1.44 1.21 1.64 1.45 1.64 IMP 4.54 4.24 3.92 6.99 6.77 9.88 6.78 7.08 5.30 2.14 2.12 2.22 2.67 2.00 2.11 2.00 2.11 2.61 XMP 0.14 0.13 0.12 0.14 0.15 0.13 0.12 0.15 0.15 0.05 0.05 0.06 0.03 0.03 0.05 0.03 0.04 0.05 DEOXY-TMP 2.53 2.14 2.78 1.83 2.05 1.94 1.99 2.37 2.04 1.82 2.56 1.68 1.88 1.69 2.33 2.47 1.88 1.81 NADP+ 9.70 6.75 12.50 6.34 8.11 13.28 7.04 7.94 8.07 8.47 7.41 6.89 6.85 7.72 5.22 6.90 6.07 4.62 N-Acetyl-Glucosamine-6-P 0.93 0.89 0.92 1.60 1.42 1.37 1.48 1.51 1.68 0.03 0.09 0.13 0.16 0.14 0.12 0.14 0.15 0.14 GLU-GLU 1.27 1.47 1.52 2.10 1.76 1.73 1.79 1.73 1.92 0.46 1.01 0.62 0.43 0.55 0.54 0.68 0.74 0.74 2-AMINOADIPATE 0.56 0.57 0.66 0.51 0.57 0.90 0.64 0.41 0.56 0.20 0.20 0.13 0.19 0.16 0.17 0.17 0.19 0.18 CITRATE 0.02 6.49 3.88 5.65 3.93 5.47 5.70 5.57 3.79 2.45 4.37 5.98 4.28 3.15 2.41 5.45 3.40 3.87 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z (Da) retention index (min) KEGG ID HMDB ID RuBP 308.9795184 15.22172765 C01182 HMDB0011688 3PGA 184.9877348 14.73234919 C00197 HMDB0000807 GLYCEROL-3-P 171.0079432 11.47861241 C00093 HMDB0000126 FBP 338.9631775 15.1 C05378 HMDB0001058 F6P 259.0233789 10.9 C00085 HMDB0000124 SBP 369.01 15.18 C00447 HMDB0060274 S7P 289.0347217 10.9 C05382 HMDB0001068 G6P 259.0233789 10.6 C00668 HMDB0001401 6PG 274.982541 14.7 C04442 HMDB0001316 PEP 166.9766265 15.04172985 C00074 HMDB0000263 SUCCINATE 117.019988 13.31 C00042 HMDB0000254 SUCROSE-6-P 421.0758229 10.49 C16688 - SUCROSE 341.1106621 1.494430642 C00089 HMDB0000258 ADP-glucose 588.0763364 14.06584634 C00498 HMDB0006557 UDP-glucose 565.0507256 13.15429426 C00029 HMDB0000286 UDP-Glucuronate 579.0312021 15.03943312 C00167 HMDB0000935 UDP-Xylose 535.0392355 13.09 C00190 HMDB0001018 UDP-Nac-glucosamine 606.0780204 13.07 C00043 HMDB0000290 dTDP-Rhamnose 547.0762103 14.05922031 C03319 HMDB0006354 GDP-Fucose 588.0763364 13.6 C00325 HMDB0001095 GDP-Mannose 604.0720481 13.11 C00096 HMDB0001163 CMP-NAc-neuraminic acid 613.1473632 12.45 C00128 HMDB0001176 ADP-ribose 1,2 cyclic P 620.0242837 14.97 C19851 HMDB0011671 ASP 132.0314709 6 C00049 HMDB0000191 GLU 146.0474639 5.724629055 C00025 HMDB0000148 GLN 145.0883809 1.2 C00064 HMDB0003423 ALA 88.04858548 1.2 C00041 HMDB0000161 N-Acetyl-GLU 188.0582122 13.59823669 C00624 HMDB0001138 3-AMINOISOBUTYRIC ACID 102.0565732 6.02 C00334 HMDB0000112 PROGLUTAMATE 128.0366542 6 C01879 HMDB0000267 Oxidized Glutathione 611.147843 12.4 C00127 HMDB0003337 GAMMA-GLU-ALA 217.08 7.1 - HMDB0006248 GAMMA-GLU-VAL 245.11 10.4 - HMDB0011172 GAMMA-GLU-ILEU 259.14 12.2 - HMDB0011170 GAMMA-GLU-LEU 259.14 12.75 - HMDB0011171 GAMMA-GLU-MET 277.09 10.8 - HMDB0034367 GAMMA-GLU-PHE 293.07 13.8 - HMDB0000594 GAMMA-GLU-TRP 332.07 14.4 - HMDB0029160 GAMMA-GLU-TYR 309.03 10.9 - HMDB0011741 AMP 346.0569538 13.72200246 C00020 HMDB0000045 ADP 426.023869 14.94916104 C00008 HMDB0001341 ATP 505.9897008 15.25639885 C00002 HMDB0000538 CMP 322.0460291 11.6 C00055 HMDB0000095 CDP 402.0437802 13.7 C00112 HMDB0001546 UMP 323.029697 11.9 C00105 HMDB0000288 UDP 402.9970464 14.78709256 C00015 HMDB0000295 GMP 362.0150615 12.4 C00144 HMDB0001397 GDP 442.0194739 14.7 C01228 HMDB0001201 GTP 521.9850504 15.15076395 C00044 HMDB0001273 IMP 347.0457914 12.1 C00130 HMDB0000175 XMP 363.0364888 14.8481464 C00655 HMDB0001554 DEOXY-TMP 321.0723059 12.9 C00364 HMDB0001227 NADP+ 743.0765573 14.9 C00003 HMDB0000217 N-Acetyl-Glucosamine-6-P 300.0346192 11.7 C00357 HMDB0002817 GLU-GLU 275.09 12.6 - HMDB0011737 2-AMINOADIPATE 160.1076431 8.2 C00956 HMDB0000510 CITRATE 191.02 15.08918675 C00158 HMDB0000094 METABOLITES_END #END