#METABOLOMICS WORKBENCH suseha_20251208_054003 DATATRACK_ID:6855 STUDY_ID:ST004492 ANALYSIS_ID:AN007534 PROJECT_ID:PR002830 VERSION 1 CREATED_ON 12-24-2025 #PROJECT PR:PROJECT_TITLE TIGAR Regulates Intestinal Mucus Barrier Integrity by Inhibiting Lactylation of PR:PROJECT_TITLE G6PD/6PGD in Ulcerative Colitis PR:PROJECT_SUMMARY Oxidative stress and metabolic dysregulation in goblet cells represent PR:PROJECT_SUMMARY significant contributors to the pathogenesis of ulcerative colitis (UC). TIGAR PR:PROJECT_SUMMARY (TP53-induced glycolysis and apoptosis regulator) plays a critical role as a PR:PROJECT_SUMMARY metabolic regulatory enzyme by promoting NADPH synthesis, thereby counteracting PR:PROJECT_SUMMARY oxidative stress. However, the precise mechanisms through which TIGAR regulates PR:PROJECT_SUMMARY NADPH synthesis and its impact on UC remain incompletely understood. Here, we PR:PROJECT_SUMMARY demonstrate that TIGAR inhibits the lactylation of glucose-6-phosphate PR:PROJECT_SUMMARY dehydrogenase (G6PD) and 6-phosphogluconate dehydrogenase (6PGD), both pivotal PR:PROJECT_SUMMARY enzymes in the NADPH biosynthesis pathway, hence preserving their enzymatic PR:PROJECT_SUMMARY activities. We further identify specific lactylation sites at lysine 432 (K432) PR:PROJECT_SUMMARY in G6PD and lysine 38 (K38) in 6PGD. Lactylation modifications impact the PR:PROJECT_SUMMARY formation of G6PD homodimers and the binding of 6PGD with NADP+. In male UC PR:PROJECT_SUMMARY mice, persistently low TIGAR expression results in elevated lactic acid levels, PR:PROJECT_SUMMARY which enhance the lactylation of G6PD and 6PGD, inhibit NADPH synthesis, and PR:PROJECT_SUMMARY exacerbate oxidative stress in goblet cells. Consequently, these alterations PR:PROJECT_SUMMARY lead to a reduction in thioredoxin 1 (Trx1) reductase activity, inducing PR:PROJECT_SUMMARY S-nitrosylation of anterior gradient homolog 2 (AGR2), a key enzyme involved in PR:PROJECT_SUMMARY MUC2 modification, thus impeding mature MUC2 production and compromising the PR:PROJECT_SUMMARY integrity of the intestinal mucus barrier. Overall, our study elucidates the PR:PROJECT_SUMMARY critical mechanisms by which TIGAR regulates NADPH synthesis, provides novel PR:PROJECT_SUMMARY insights into how TIGAR maintains cellular redox homeostasis, and offers PR:PROJECT_SUMMARY experimental evidence for considering TIGAR as a potential target for UC PR:PROJECT_SUMMARY therapy. PR:INSTITUTE Southwest Hospital, Third Military Medical University PR:DEPARTMENT Clinical Medical Research Center PR:LABORATORY Clinical Medical Research Center PR:LAST_NAME Su PR:FIRST_NAME Sen PR:ADDRESS Gaotanyan Street 30, Shapingba District, Chongqing, Chongqing, 400038, China PR:EMAIL 1441suse@163.com PR:PHONE 0086015023551789 PR:DOI http://dx.doi.org/10.21228/M8VG27 #STUDY ST:STUDY_TITLE Metabolic Flux Analysis of Glycolysis and the Pentose Phosphate Pathway Using ST:STUDY_TITLE U-¹³C-Glucose Stable Isotope Tracing in WT type and TIGAR-knockout HIEC-6 ST:STUDY_TITLE cells ST:STUDY_SUMMARY To investigate the mechanisms underlying glucose metabolism reprogramming upon ST:STUDY_SUMMARY TIGAR depletion, we performed stable isotope tracing using U ¹³C glucose. In ST:STUDY_SUMMARY HIEC-6 cells incubated with U ¹³C glucose, TIGAR knockout resulted in reduced ST:STUDY_SUMMARY carbon flux through the pentose phosphate pathway (PPP) and enhanced flux ST:STUDY_SUMMARY through glycolysis. ST:INSTITUTE Southwest Hospital, Third Military Medical University ST:LAST_NAME Su ST:FIRST_NAME Sen ST:ADDRESS Gaotanyan Street 30, Shapingba District, Chongqing, Chongqing, 400038, China ST:EMAIL 1441suse@163.com ST:PHONE 0086015023351789 ST:SUBMIT_DATE 2025-12-08 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - C13-KO-1H-1 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-1H-1.raw SUBJECT_SAMPLE_FACTORS - C13-KO-1H-2 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-1H-2.raw SUBJECT_SAMPLE_FACTORS - C13-KO-1H-3 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-1H-3.raw SUBJECT_SAMPLE_FACTORS - C13-KO-1H-4 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-1H-4.raw SUBJECT_SAMPLE_FACTORS - C13-KO-24H-1 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-24H-1.raw SUBJECT_SAMPLE_FACTORS - C13-KO-24H-2 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-24H-2.raw SUBJECT_SAMPLE_FACTORS - C13-KO-24H-3 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-24H-3.raw SUBJECT_SAMPLE_FACTORS - C13-KO-24H-4 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-24H-4.raw SUBJECT_SAMPLE_FACTORS - C13-KO-2H-1 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-2H-1.raw SUBJECT_SAMPLE_FACTORS - C13-KO-2H-2 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-2H-2.raw SUBJECT_SAMPLE_FACTORS - C13-KO-2H-3 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-2H-3.raw SUBJECT_SAMPLE_FACTORS - C13-KO-2H-4 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-2H-4.raw SUBJECT_SAMPLE_FACTORS - C13-KO-4H-1 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-4H-1.raw SUBJECT_SAMPLE_FACTORS - C13-KO-4H-2 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-4H-2.raw SUBJECT_SAMPLE_FACTORS - C13-KO-4H-3 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-4H-3.raw SUBJECT_SAMPLE_FACTORS - C13-KO-4H-4 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-4H-4.raw SUBJECT_SAMPLE_FACTORS - C13-KO-8H-1 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-8H-1.raw SUBJECT_SAMPLE_FACTORS - C13-KO-8H-2 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-8H-2.raw SUBJECT_SAMPLE_FACTORS - C13-KO-8H-3 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-8H-3.raw SUBJECT_SAMPLE_FACTORS - C13-KO-8H-4 Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-KO-8H-4.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-1H-1 Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-1H-1.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-1H-2 Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-1H-2.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-1H-3 Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-1H-3.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-1H-4 Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-1H-4.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-24H-1 Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-24H-1.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-24H-2 Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-24H-2.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-24H-3 Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-24H-3.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-24H-4 Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-24H-4.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-2H-1 Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-2H-1.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-2H-2 Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-2H-2.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-2H-3 Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-2H-3.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-2H-4 Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-2H-4.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-4H-1 Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-4H-1.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-4H-2 Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-4H-2.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-4H-3 Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-4H-3.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-4H-4 Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-4H-4.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-8H-1 Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-8H-1.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-8H-2 Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-8H-2.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-8H-3 Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-8H-3.raw SUBJECT_SAMPLE_FACTORS - C13-Cont-8H-4 Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells RAW_FILE_NAME(Raw file name)=C13-Cont-8H-4.raw #COLLECTION CO:COLLECTION_SUMMARY The HIEC-6 cell line was purchased from ATCC and cultured in DMEM medium (Gibco, CO:COLLECTION_SUMMARY Carlsbad, CA, USA) supplemented with 5% FBS (Gibco, Carlsbad, CA, USA), 10 mM CO:COLLECTION_SUMMARY HEPES, 5 mg/ml EGF, 100 U/ml penicillin/streptomycin, 4 mM Glutamax at 37℃ in CO:COLLECTION_SUMMARY a 5% CO2 incubator. Stable knockout cell lines of TIGAR were generated utilizing CO:COLLECTION_SUMMARY CRISPR/Cas9 technology. The double-stranded oligonucleotide complementary to the CO:COLLECTION_SUMMARY target sequence was cloned into the lentiCRISPRv2 vector and co-transfected with CO:COLLECTION_SUMMARY the packaging plasmid into HEK293 cells. Subsequently, a 48h viral supernatant CO:COLLECTION_SUMMARY was collected to infect HIEC-6 cells with polybrene. For functional assays, 1000 CO:COLLECTION_SUMMARY 000 cells (WT or sgTIGAR HIEC-6 cells; n = 4 biological replicates per group) CO:COLLECTION_SUMMARY were seeded in 6-cm culture plates in sodium bicarbonate-free DMEM medium CO:COLLECTION_SUMMARY supplemented with 10% dialyzed FBS, 2 mM L‐glutamine and 10 mM CO:COLLECTION_SUMMARY U‐13C‐Glucose. Samples were collected at 1, 2, 4, 8, and 24 hours CO:COLLECTION_SUMMARY post-treatment. CO:SAMPLE_TYPE Colon #TREATMENT TR:TREATMENT_SUMMARY 1000 000 cells (WT or sgTIGAR HIEC-6 cells; n = 4 biological replicates per TR:TREATMENT_SUMMARY group) were seeded in 6-cm culture plates in sodium bicarbonate-free DMEM medium TR:TREATMENT_SUMMARY supplemented with 10% dialyzed FBS, 2 mM L‐glutamine and 10 mM TR:TREATMENT_SUMMARY U‐13C‐Glucose. Samples were collected at 1, 2, 4, 8, and 24 hours TR:TREATMENT_SUMMARY post-treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For cellular samples, 1 mL of pre-chilled (at -80°C) 80% (v/v) methanol of MS SP:SAMPLEPREP_SUMMARY grade was added to the culture dish, and cell debris was scraped off using a SP:SAMPLEPREP_SUMMARY spatula. The cells were disrupted using a low-temperature ultrasonic disrupter SP:SAMPLEPREP_SUMMARY for 60 seconds at -20°C, followed by a pause of 30 seconds, with this cycle SP:SAMPLEPREP_SUMMARY repeated three times. The resulting homogenates from cells and colons were SP:SAMPLEPREP_SUMMARY transferred and incubated at -20°C for 60 minutes. Subsequently, samples were SP:SAMPLEPREP_SUMMARY centrifuged at 18,410 x g for 10 minutes at 4°C. The supernatant was collected SP:SAMPLEPREP_SUMMARY after centrifugation, dried under a nitrogen gas, reconstituted, and centrifuged SP:SAMPLEPREP_SUMMARY again to obtain the supernatant for subsequent analysis. A 20 μL aliquot from SP:SAMPLEPREP_SUMMARY each sample was combined to prepare a quality control (QC) mixture for mass SP:SAMPLEPREP_SUMMARY spectrometry analyses. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters Atlantis Premier BEH Z-HILIC Column (2.1 × 100 mm, 1.7 μm) CH:COLUMN_TEMPERATURE 30°C CH:FLOW_GRADIENT 0-5 min: 90% B-65% B; 5-6 min: 65% B-65% B; 6 -8 min: 65% B-90% B; 8-10 min: 90% CH:FLOW_GRADIENT B CH:FLOW_RATE 0.5 mL/min CH:SOLVENT_A 5% ACN/95% water; 15 mM ammonium acetate (pH 9) CH:SOLVENT_B 95% ACN/5% water; 15 mM ammonium acetate (pH 9) CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS The MS parameters for detection were: ESI source voltage 3.0 kV in negative ion MS:MS_COMMENTS scanning mode with scan range of m/z 70-1050 for mass spectrometry scanning, MS:MS_COMMENTS full scanning resolution of 120000, and MS2 scanning resolution of 60000, the MS:MS_COMMENTS top four precursor ions were broken up with the higher energy collisional MS:MS_COMMENTS dissociation cell in MS2 set to 30% normalized collision energy. the sheath gas MS:MS_COMMENTS was set at 60 arbitrary units, the auxiliary gas was set at 20 arbitrary units, MS:MS_COMMENTS and the blow air flow rate of 2Arb; the ion transport tube was set to 380°C; MS:MS_COMMENTS the vaporizer temperature of the ion source was set to 350°C. Software tools MS:MS_COMMENTS Xcalibur 4.3 (Thermo Fisher Scientific) and Compound Discover 3.3 (Thermo Fisher MS:MS_COMMENTS Scientific) were used for data processing and analyzing. Retention time MS:MS_COMMENTS alignment across all samples was achieved using the ChromeAlign node, with a MS:MS_COMMENTS pooled quality control (QC) sample serving as the reference. The pooled QC MS:MS_COMMENTS sample was prepared by combining equal aliquots from all biological samples. It MS:MS_COMMENTS was injected repeatedly—once every 10 analytical runs—to monitor instrument MS:MS_COMMENTS stability, enable batch effect correction, and support data normalization. MS:MS_COMMENTS Putative metabolite features were detected and grouped across all samples using MS:MS_COMMENTS the following key parameters (all other settings remained at default values): MS:MS_COMMENTS minimum peak intensity threshold of 1 × 10⁵ (area under the curve); mass MS:MS_COMMENTS tolerance of 5 ppm; retention time tolerance of 0.25 min; ionization modes MS:MS_COMMENTS limited to [M – H]⁻; and peak rating filter set to 4. Missing values were MS:MS_COMMENTS imputed using the built-in “Fill Gap” function, configured with a mass MS:MS_COMMENTS tolerance of 5 ppm and a signal-to-noise ratio threshold of 1.5. Metabolite MS:MS_COMMENTS identification was carried out through a tiered annotation strategy. Matching of MS:MS_COMMENTS both accurate mass (±5 ppm) and retention time (±0.5 min) to an in-house MS:MS_COMMENTS spectral library generated from authentic commercial standards, or spectral MS:MS_COMMENTS matching against the mzCloud database (https://www.mzcloud.org/) and mzVault MS:MS_COMMENTS database using MS/MS fragmentation data, with precursor and fragment mass MS:MS_COMMENTS tolerances of 10 ppm and a minimum match factor of 50. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples C13-KO-1H-1 C13-KO-1H-2 C13-KO-1H-3 C13-KO-1H-4 C13-KO-24H-1 C13-KO-24H-2 C13-KO-24H-3 C13-KO-24H-4 C13-KO-2H-1 C13-KO-2H-2 C13-KO-2H-3 C13-KO-2H-4 C13-KO-4H-1 C13-KO-4H-2 C13-KO-4H-3 C13-KO-4H-4 C13-KO-8H-1 C13-KO-8H-2 C13-KO-8H-3 C13-KO-8H-4 C13-Cont-1H-1 C13-Cont-1H-2 C13-Cont-1H-3 C13-Cont-1H-4 C13-Cont-24H-1 C13-Cont-24H-2 C13-Cont-24H-3 C13-Cont-24H-4 C13-Cont-2H-1 C13-Cont-2H-2 C13-Cont-2H-3 C13-Cont-2H-4 C13-Cont-4H-1 C13-Cont-4H-2 C13-Cont-4H-3 C13-Cont-4H-4 C13-Cont-8H-1 C13-Cont-8H-2 C13-Cont-8H-3 C13-Cont-8H-4 Factors Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:TIGAR-knockout | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:1H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:24H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:2H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:4H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells Genotype:Wild-type | Treatment:13C Glc | Time:8H | Sample source:HIEC6 cells 6-Phosphogluconic acid_0 2749236.0000 2138769.0000 2994038.0000 2435855.0000 564342.0000 387184.0000 382500.0000 270670.0000 2356078.0000 1462287.0000 2053746.0000 1639069.0000 1111960.0000 1187633.0000 881624.0000 906766.0000 1055596.0000 980789.0000 988983.0000 651102.0000 1328489.0000 492428.0000 351314.0000 235222.0000 1114057.0000 479306.0000 255974.0000 290980.0000 376535.0000 341379.0000 321685.0000 161469.0000 156772.0000 208434.0000 352844.0000 211307.0000 6-Phosphogluconic acid_1 6-Phosphogluconic acid_2 6-Phosphogluconic acid_3 584831.0000 544595.0000 859896.0000 660366.0000 964256.0000 714981.0000 837392.0000 673757.0000 3198980.0000 1803230.0000 1675678.0000 2276195.0000 735884.0000 616232.0000 525757.0000 544004.0000 6-Phosphogluconic acid_4 1295848.0000 1254478.0000 1103114.0000 1086098.0000 595269.0000 508732.0000 532455.0000 411496.0000 922392.0000 1004396.0000 793386.0000 685392.0000 398077.0000 401565.0000 151493.0000 258491.0000 550795.0000 466417.0000 486671.0000 419216.0000 2391256.0000 2041842.0000 1659499.0000 1990391.0000 410598.0000 270254.0000 93084.0000 1240773.0000 1246145.0000 795541.0000 851429.0000 350439.0000 1190442.0000 679494.0000 1308341.0000 534327.0000 285649.0000 3326.0000 258606.0000 6-Phosphogluconic acid_5 243680.0000 251352.0000 101164.0000 220122.0000 662635.0000 511952.0000 522831.0000 389809.0000 578554.0000 393239.0000 502435.0000 370566.0000 572773.0000 602799.0000 496691.0000 211865.0000 617843.0000 567532.0000 578688.0000 375550.0000 223185.0000 243680.0000 502703.0000 556403.0000 102649.0000 90085.0000 93084.0000 75445.0000 1471769.0000 1232465.0000 1314393.0000 1305610.0000 1453947.0000 1094158.0000 1334905.0000 551179.0000 1382199.0000 1235207.0000 1017628.0000 704869.0000 6-Phosphogluconic acid_6 1490929.0000 1151892.0000 1176370.0000 877071.0000 520703.0000 547999.0000 456956.0000 741527.0000 864980.0000 822921.0000 839098.0000 431883.0000 297580.0000 292416.0000 9751692.0000 8648122.0000 9122268.0000 7469025.0000 2796361.0000 2588176.0000 2365908.0000 2448018.0000 2665569.0000 2844810.0000 3226021.0000 2572168.0000 4837695.0000 4446743.0000 3714341.0000 3524346.0000 Dihydroxyacetone phosphate_0 261059.0000 1075031.0000 484840.0000 71761.0000 592232.0000 101558.0000 539.0000 1210.0000 1004.0000 2759484.0000 1897027.0000 1207933.0000 364488.0000 287427.0000 116944.0000 302904.0000 596741.0000 15876.0000 281239.0000 117217.0000 7090567.0000 37765.0000 646.0000 3791.0000 Dihydroxyacetone phosphate_1 921.0000 49974.0000 115785.0000 94586.0000 41492.0000 54516.0000 73549.0000 17944.0000 1066.0000 74.0000 63139.0000 350706.0000 10.0000 Dihydroxyacetone phosphate_2 9.0000 20.0000 8.0000 23.0000 2208.0000 752.0000 24.0000 34.0000 34.0000 35.0000 57.0000 27.0000 269.0000 134.0000 125.0000 664.0000 121419.0000 96908.0000 311.0000 89774.0000 10.0000 16.0000 16.0000 8.0000 11935.0000 12.0000 165.0000 893.0000 14.0000 14.0000 2.0000 14.0000 409.0000 7.0000 189.0000 213.0000 92898.0000 478555.0000 24807.0000 477.0000 Dihydroxyacetone phosphate_3 4681856.0000 3680209.0000 2816209.0000 3410530.0000 3157897.0000 75204280.0000 3485363.0000 3375725.0000 4207485.0000 4400288.0000 5061980.0000 3036651.0000 134648760.0000 134360519.0000 125350297.0000 110618386.0000 89693266.0000 81565313.0000 44472598.0000 75162528.0000 2244614.0000 1965402.0000 1874690.0000 1205672.0000 19880625.0000 1345602.0000 20574748.0000 850634.0000 2058936.0000 1403917.0000 1125895.0000 1811603.0000 26981906.0000 1210178.0000 687661.0000 35493681.0000 2011191.0000 29491666.0000 1817110.0000 1391442.0000 Erythrose_ 4-phosphate_0 1103046.0000 997354.0000 936929.0000 885354.0000 111558.0000 147454.0000 159276.0000 123245.0000 926619.0000 889062.0000 863428.0000 781683.0000 546582.0000 441376.0000 381529.0000 417184.0000 488239.0000 384311.0000 332719.0000 361025.0000 864261.0000 687801.0000 576403.0000 535985.0000 136834.0000 103694.0000 152336.0000 102960.0000 812538.0000 729055.0000 645425.0000 603822.0000 488149.0000 388681.0000 314406.0000 274010.0000 345571.0000 241793.0000 165701.0000 204613.0000 Erythrose_ 4-phosphate_1 Erythrose_ 4-phosphate_2 Erythrose_ 4-phosphate_3 246.0000 30.0000 170.0000 12.0000 79.0000 67.0000 23.0000 63.0000 23.0000 24.0000 9.0000 221.0000 466.0000 246.0000 336.0000 37.0000 55.0000 11.0000 32.0000 1037.0000 726.0000 500.0000 1135.0000 62.0000 102.0000 74.0000 39.0000 35.0000 512.0000 20.0000 38.0000 45.0000 31.0000 25.0000 22.0000 887.0000 545.0000 374.0000 402.0000 Erythrose_ 4-phosphate_4 183089.0000 204718.0000 148264.0000 123055.0000 626464.0000 514249.0000 544764.0000 546508.0000 289699.0000 179160.0000 240251.0000 194938.0000 174776.0000 163052.0000 118105.0000 118733.0000 387520.0000 341195.0000 257992.0000 263595.0000 237367.0000 190290.0000 171983.0000 168735.0000 569130.0000 500763.0000 576513.0000 361006.0000 345204.0000 376628.0000 295392.0000 317612.0000 320277.0000 278386.0000 237467.0000 215847.0000 415059.0000 389562.0000 282151.0000 364397.0000 Fructose-6-phosphate_0 1653500.0000 1443892.0000 1099458.0000 1090926.0000 39.0000 69.0000 64.0000 62.0000 142233.0000 55312.0000 38082.0000 34250.0000 30.0000 20.0000 23.0000 25.0000 25.0000 22.0000 22.0000 18.0000 543536.0000 326840.0000 416698.0000 423639.0000 30.0000 28.0000 35.0000 25.0000 263555.0000 518615.0000 416069.0000 269754.0000 87482.0000 80893.0000 90508.0000 89168.0000 96.0000 1.0000 248.0000 240.0000 Fructose-6-phosphate_1 Fructose-6-phosphate_2 Fructose-6-phosphate_3 76300.0000 35863.0000 35294.0000 81804.0000 52044.0000 82653.0000 107158.0000 95488.0000 73369.0000 83965.0000 32976.0000 359786.0000 607.0000 230248.0000 185610.0000 Fructose-6-phosphate_4 22.0000 56.0000 46.0000 79.0000 74.0000 71.0000 36.0000 33.0000 32.0000 27.0000 40.0000 37.0000 45.0000 33.0000 30.0000 30.0000 24.0000 Fructose-6-phosphate_5 511784.0000 410616.0000 333934.0000 317978.0000 450916.0000 452567.0000 447282.0000 373383.0000 334095.0000 332630.0000 255649.0000 207883.0000 256017.0000 195176.0000 192314.0000 179719.0000 171801.0000 242978.0000 129226.0000 160541.0000 155270.0000 138982.0000 114950.0000 156978.0000 375365.0000 440965.0000 312542.0000 321683.0000 157846.0000 151372.0000 142280.0000 150297.0000 124895.0000 114087.0000 127601.0000 122444.0000 2225422.0000 4000.0000 1809209.0000 1645579.0000 Fructose-6-phosphate_6 10907498.0000 8357457.0000 7701050.0000 7434760.0000 12482736.0000 10975342.0000 10228252.0000 9909271.0000 8515360.0000 7473109.0000 6745801.0000 6787412.0000 5626424.0000 4786737.0000 4340193.0000 4656337.0000 4877570.0000 4231456.0000 4237496.0000 3499321.0000 4392606.0000 3502492.0000 4569030.0000 3383085.0000 9589053.0000 8952602.0000 8315887.0000 8052939.0000 4546179.0000 4521570.0000 4678041.0000 3634245.0000 3300927.0000 3247253.0000 3633279.0000 3739664.0000 45595246.0000 98916.0000 39223274.0000 38186198.0000 Lactic acid_0 173491549.0000 166564161.0000 140492920.0000 137579978.0000 186486726.0000 162740119.0000 144525254.0000 136479615.0000 75080317.0000 84320734.0000 74852644.0000 77610119.0000 73548414.0000 72121408.0000 71659383.0000 62272281.0000 119811057.0000 111102248.0000 115607192.0000 102324324.0000 218068118.0000 214550400.0000 178073404.0000 184977408.0000 257933357.0000 249606374.0000 197372652.0000 190386874.0000 303172095.0000 284976797.0000 244150908.0000 248233558.0000 145278529.0000 137509676.0000 130217510.0000 116368492.0000 147293727.0000 113214075.0000 112573314.0000 123847589.0000 Lactic acid_1 505415.0000 664392.0000 2055008.0000 585051.0000 657489.0000 591308.0000 406566.0000 943352.0000 679950.0000 1106766.0000 1439484.0000 450246.0000 153818.0000 224191.0000 271788.0000 88292.0000 447925.0000 302125.0000 1571050.0000 1583294.0000 265554.0000 1218244.0000 74426.0000 49714.0000 487642.0000 174009.0000 118972.0000 208840.0000 177766.0000 24079.0000 Lactic acid_2 4055286.0000 4419359.0000 2947594.0000 3659933.0000 12878284.0000 11005512.0000 10804685.0000 9553153.0000 3577716.0000 5630240.0000 5405716.0000 4416030.0000 5847029.0000 5763531.0000 5537212.0000 5177793.0000 5116109.0000 5754601.0000 4999132.0000 4629322.0000 1354921.0000 1147002.0000 1154897.0000 888034.0000 11027863.0000 10401519.0000 7523581.0000 7725349.0000 3008342.0000 2667400.0000 2772027.0000 2824227.0000 2610999.0000 2609133.0000 2356542.0000 2177519.0000 4226424.0000 3459176.0000 2850565.0000 2932315.0000 Lactic acid_3 178164704.0000 171068467.0000 142254163.0000 146423543.0000 490476529.0000 473370613.0000 430753815.0000 424724019.0000 171644875.0000 201929641.0000 203720444.0000 184676280.0000 244463854.0000 231061158.0000 215685250.0000 204243442.0000 225250886.0000 204434956.0000 217398082.0000 187873656.0000 52030365.0000 46251207.0000 48214705.0000 38281171.0000 438481636.0000 420412025.0000 356766940.0000 347317382.0000 127951188.0000 118525938.0000 118173730.0000 125307028.0000 103591305.0000 104336469.0000 100372004.0000 90894662.0000 159971998.0000 144130886.0000 124249642.0000 123409696.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 6-Phosphogluconic acid_0 91493 C00345 6.65 275.0173 6-Phosphogluconic acid_1 6.65 276.0206 6-Phosphogluconic acid_2 6.65 277.0239 6-Phosphogluconic acid_3 6.65 278.0272 6-Phosphogluconic acid_4 6.65 279.0305 6-Phosphogluconic acid_5 6.65 280.0338 6-Phosphogluconic acid_6 6.65 281.0371 Dihydroxyacetone phosphate_0 668 C00111 5.58 168.9908 Dihydroxyacetone phosphate_1 5.58 169.9941 Dihydroxyacetone phosphate_2 5.58 170.9974 Dihydroxyacetone phosphate_3 5.58 172.0007 Erythrose, 4-phosphate_0 122357 C00279 3.86 199.0014 Erythrose, 4-phosphate_1 3.86 200.0047 Erythrose, 4-phosphate_2 3.86 201.0080 Erythrose, 4-phosphate_3 3.86 202.0113 Erythrose, 4-phosphate_4 3.86 203.0146 Fructose-6-phosphate_0 69507 C00085 5.84 259.0224 Fructose-6-phosphate_1 5.84 260.0257 Fructose-6-phosphate_2 5.84 261.0290 Fructose-6-phosphate_3 5.84 262.0323 Fructose-6-phosphate_4 5.84 263.0356 Fructose-6-phosphate_5 5.84 264.0389 Fructose-6-phosphate_6 5.84 265.0422 Lactic acid_0 107689 C00186 2.81 89.0244 Lactic acid_1 2.81 90.0277 Lactic acid_2 2.81 91.0311 Lactic acid_3 2.81 92.0344 METABOLITES_END #END