#METABOLOMICS WORKBENCH stephensondj_20250924_110522 DATATRACK_ID:6480 STUDY_ID:ST004270 ANALYSIS_ID:AN007108 PROJECT_ID:PR002696 VERSION 1 CREATED_ON October 9, 2025, 8:55 pm #PROJECT PR:PROJECT_TITLE Amino Acid Decarboxylation Preserves Salmonella Fitness During Phagocyte-Derived PR:PROJECT_TITLE Oxidative Stress PR:PROJECT_SUMMARY Successful establishment of infection by non-typhoidal Salmonella depends upon PR:PROJECT_SUMMARY its ability to resist the antimicrobial defenses of the host innate immune PR:PROJECT_SUMMARY response. To withstand the membrane depolarization that potentiates the killing PR:PROJECT_SUMMARY activity of reactive oxygen species (ROS) produced by the phagocyte NADPH PR:PROJECT_SUMMARY oxidase, Salmonella employs metabolic adaptations that maintain intracellular pH PR:PROJECT_SUMMARY homeostasis and membrane energetics. Here, we identify amino acid PR:PROJECT_SUMMARY decarboxylation as a critical determinant of Salmonella virulence and resistance PR:PROJECT_SUMMARY to the oxidative pressures within the host environment. The proton-consuming PR:PROJECT_SUMMARY decarboxylation of L-arginine preserves intracellular ∆pH and enhances PR:PROJECT_SUMMARY Salmonella survival against the bactericidal effects of ROS, while downstream PR:PROJECT_SUMMARY polyamine biosynthesis aids in bacterial recovery following ROS exposure. PR:PROJECT_SUMMARY Polyamines alone cannot substitute for the immediate, protective impact of PR:PROJECT_SUMMARY proton 26 consuming decarboxylation during oxidative stress killing. PR:PROJECT_SUMMARY Specifically, we show that Salmonella relies on the combined activity of the PR:PROJECT_SUMMARY inducible arginine AdiA and ornithine SpeF decarboxylases for resistance to PR:PROJECT_SUMMARY oxidative stress, and that this activity is essential for Salmonella virulence PR:PROJECT_SUMMARY during systemic infection. Together, amino acid decarboxylation and polyamine PR:PROJECT_SUMMARY biosynthesis play complementary, but distinct roles in Salmonella adaptation to PR:PROJECT_SUMMARY phagocyte-derived oxidative stress, providing a new framework for understanding PR:PROJECT_SUMMARY how amino acid catabolism influences bacterial survival in the host PR:INSTITUTE University of Colorado School of Medicine PR:DEPARTMENT Immunology and Microbiology PR:LAST_NAME Stephenson PR:FIRST_NAME Daniel PR:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA PR:EMAIL daniel.stephenson@cuanschutz.edu PR:PHONE 303-724-3339 #STUDY ST:STUDY_TITLE Amino Acid Decarboxylation Preserves Salmonella Fitness During Phagocyte-Derived ST:STUDY_TITLE Oxidative Stress ST:STUDY_SUMMARY Successful establishment of infection by non-typhoidal Salmonella depends upon ST:STUDY_SUMMARY its ability to resist the antimicrobial defenses of the host innate immune ST:STUDY_SUMMARY response. To withstand the membrane depolarization that potentiates the killing ST:STUDY_SUMMARY activity of reactive oxygen species (ROS) produced by the phagocyte NADPH ST:STUDY_SUMMARY oxidase, Salmonella employs metabolic adaptations that maintain intracellular pH ST:STUDY_SUMMARY homeostasis and membrane energetics. Here, we identify amino acid ST:STUDY_SUMMARY decarboxylation as a critical determinant of Salmonella virulence and resistance ST:STUDY_SUMMARY to the oxidative pressures within the host environment. The proton-consuming ST:STUDY_SUMMARY decarboxylation of L-arginine preserves intracellular ∆pH and enhances ST:STUDY_SUMMARY Salmonella survival against the bactericidal effects of ROS, while downstream ST:STUDY_SUMMARY polyamine biosynthesis aids in bacterial recovery following ROS exposure. ST:STUDY_SUMMARY Polyamines alone cannot substitute for the immediate, protective impact of ST:STUDY_SUMMARY proton 26 consuming decarboxylation during oxidative stress killing. ST:STUDY_SUMMARY Specifically, we show that Salmonella relies on the combined activity of the ST:STUDY_SUMMARY inducible arginine AdiA and ornithine SpeF decarboxylases for resistance to ST:STUDY_SUMMARY oxidative stress, and that this activity is essential for Salmonella virulence ST:STUDY_SUMMARY during systemic infection. Together, amino acid decarboxylation and polyamine ST:STUDY_SUMMARY biosynthesis play complementary, but distinct roles in Salmonella adaptation to ST:STUDY_SUMMARY phagocyte-derived oxidative stress, providing a new framework for understanding ST:STUDY_SUMMARY how amino acid catabolism influences bacterial survival in the host ST:INSTITUTE University of Colorado School of Medicine ST:LAST_NAME Stephenson ST:FIRST_NAME Daniel ST:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA ST:EMAIL daniel.stephenson@cuanschutz.edu ST:PHONE 303-724-3339 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Salmonella enterica SU:TAXONOMY_ID 28901 #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 - DS2-098-001 Treatment:MOPS-glucose | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-001_R10_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-001_R10_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-002 Treatment:MOPS-glucose | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-002_R19_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-002_R19_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-003 Treatment:MOPS-glucose | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-003_R14_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-003_R14_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-004 Treatment:MOPS-glucose | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-004_R17_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-004_R17_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-005 Treatment:MOPS-glucose | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-005_R11_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-005_R11_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-011 Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-011_R18_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-011_R18_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-012 Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-012_R27_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-012_R27_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-013 Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-013_R12_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-013_R12_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-014 Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-014_R16_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-014_R16_5MMpos.raw SUBJECT_SAMPLE_FACTORS - DS2-098-015 Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Sample Groups=WT; RAW_FILE_NAME(Raw File Names Neg)=DS2-098-015_R29_5MMneg.raw; RAW_FILE_NAME(Raw File Names Pos)=DS2-098-015_R29_5MMpos.raw #COLLECTION CO:COLLECTION_SUMMARY Salmonella grown overnight in LB broth at 37°C were diluted to CO:COLLECTION_SUMMARY 5 × 10⁷ CFU/mL in MOPS–glucose minimal medium and incubated CO:COLLECTION_SUMMARY aerobically at 37°C for 4 h. Cultures were divided and either treated with or CO:COLLECTION_SUMMARY without 400 µM H₂O₂ for 30 min. Cells were harvested by centrifugation CO:COLLECTION_SUMMARY at 8,000 × g for 5 min, and pellets were flash-frozen and stored at CO:COLLECTION_SUMMARY –80°C prior to extraction. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY Cultures were routinely started from either a small amount of -80°C DMSO stock TR:TREATMENT_SUMMARY or a single colony, which was inoculated into the appropriate liquid growth TR:TREATMENT_SUMMARY medium and grown overnight (16 to 20 h) aerobically at 37°C with shaking. Where TR:TREATMENT_SUMMARY indicated, either LB (Lysogeny broth), EG (Essential salts + glucose) minimal TR:TREATMENT_SUMMARY media [1.7 mM MgSO4, 9.5 mM citric acid, 57.4 mM K2HPO4,16.7 mM H5NNaO4P, 0.4% TR:TREATMENT_SUMMARY D-Glucose; pH 7.0 unless otherwise noted], or MOPS (Morpholino propanesulfonic TR:TREATMENT_SUMMARY acid) minimal media [40 mM MOPS buffer, 4 mM tricine, 0.4% D glucose, 2mM TR:TREATMENT_SUMMARY K2HPO4, 10 µM FeSO4·7H2O, 9.5 mM NH4Cl, 276 µM K2SO4, 500 nM CaCl2, 50 mM TR:TREATMENT_SUMMARY NaCl, 525 µM MgCl2, 2.9 nM (NH4)6Mo7O24·4H2O, 400 nM H3BO3, 30 nM CoCl2, 9.6 TR:TREATMENT_SUMMARY nM CuSO4, 80.8 nM MnCl2, and 9.74 nM ZnSO4; pH 7.2] were used. The initial pH of TR:TREATMENT_SUMMARY all media formulations supplemented with amino acids and/or putrescine was TR:TREATMENT_SUMMARY measured and confirmed to 25 match that of the unsupplemented base medium (pH TR:TREATMENT_SUMMARY 7.0). For H2O2 survival, qRT-PCR, and intracellular pH assays, overnight TR:TREATMENT_SUMMARY cultures were grown in EG minimal media supplemented with 80 µg/mL of the TR:TREATMENT_SUMMARY appropriate amino acid(s) for the catabolic pathway of interest (i.e. L-arginine TR:TREATMENT_SUMMARY for ∆adiA, ∆speA, ∆adiA∆speA, and ∆speB; L-ornithine for ∆speF, TR:TREATMENT_SUMMARY ∆speC, and ∆speF∆speC; and L arginine + L-ornithine for ∆adiA∆speF, TR:TREATMENT_SUMMARY ∆speA∆speC, and ∆adiA∆speA∆speF∆speC). As appropriate, penicillin, TR:TREATMENT_SUMMARY chloramphenicol, or kanamycin was added at final concentrations of 250, 20, or TR:TREATMENT_SUMMARY 50 µg/mL, respectively. To determine CFU, bacterial cultures were serially TR:TREATMENT_SUMMARY diluted 10-fold in phosphate-buffered saline (PBS) and spread onto LB agar TR:TREATMENT_SUMMARY plates followed by growth at 37°C for 16 h. Salmonella grown overnight in LB TR:TREATMENT_SUMMARY broth at 37°C were diluted to 5 × 10⁷ CFU/mL in MOPS–glucose minimal TR:TREATMENT_SUMMARY medium and incubated aerobically with shaking at 37°C for 4 h. Cultures were TR:TREATMENT_SUMMARY then split and either left untreated or 400 µM H2O2 was directly added to the TR:TREATMENT_SUMMARY treatment samples. Both untreated and treated samples were then incubated for 30 TR:TREATMENT_SUMMARY min at 37°C with shaking. Cells were then harvested by centrifugation at TR:TREATMENT_SUMMARY 8,000 × g for 5 min, and pellets were flash frozen and stored at –80°C TR:TREATMENT_SUMMARY prior to extraction. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolomics were extracted via protein crash. Extraction of metabolomics from SP:SAMPLEPREP_SUMMARY cells was as follows: Variable amounts of cold MeOH:ACN:H2O (5:3:2, v:v:v) were SP:SAMPLEPREP_SUMMARY added to each sample for a final cell concentration of 6.5e8 CFU/mL. Samples SP:SAMPLEPREP_SUMMARY were then vortexed at 4 °C for 30 minutes. Following vortexing, samples were SP:SAMPLEPREP_SUMMARY centrifuged at 12700 RPM for 10 minutes at 4 °C and supernatant was transferred SP:SAMPLEPREP_SUMMARY to a new autosampler vial for analysis. A portion of extract from each sample SP:SAMPLEPREP_SUMMARY was also combined to create a technical mixture, injected throughout the run for SP:SAMPLEPREP_SUMMARY quality control. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolomics Negative CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% Water; 10mM Ammonium Aceate CH:SOLVENT_B 50% Methanol/50% Acetonitrile; 10mM Ammonium Acetate CH:FLOW_GRADIENT 0 min - 0.45 ml/min - 0% B, 0.5 min - 0.45ml/min - 0% B, 1.1 min - 0.45ml/min - CH:FLOW_GRADIENT 100% B, 2.75 min - 0.45ml/min - 100% B, 3 min - 0.45ml/min - 0% B, 5min - CH:FLOW_GRADIENT 0.45ml/min - 0%B CH:FLOW_RATE 0.45mL/min CH:COLUMN_TEMPERATURE 45 CH:CHROMATOGRAPHY_COMMENTS The times mentioned in the flow gradient are the specific time the gradient CH:CHROMATOGRAPHY_COMMENTS changes in the method. The methods were 5 minutes. #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS El-Maven used for data analysis. Orbitrap scanning in full MS mode from 65-975 MS:MS_COMMENTS m/z at 120,000 resolution, with 50 Arb sheath gas, 10 Arb auxiliary gas, and 3.4 MS:MS_COMMENTS kV spray voltage. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples DS2-098-001 DS2-098-002 DS2-098-003 DS2-098-004 DS2-098-005 DS2-098-011 DS2-098-012 DS2-098-013 DS2-098-014 DS2-098-015 Factors Treatment:MOPS-glucose | Sample source:Salmonella Treatment:MOPS-glucose | Sample source:Salmonella Treatment:MOPS-glucose | Sample source:Salmonella Treatment:MOPS-glucose | Sample source:Salmonella Treatment:MOPS-glucose | Sample source:Salmonella Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella Treatment:MOPS-glucose 400 uM H2O2 | Sample source:Salmonella L-aspartate 278602 158574 252700 197741 340535 208813 417835 201871 287635 343729 L-glutamate 7866565 6723253 7191745 7921263 9305140 9998519 15867509 10034847 11340037 17406270 L-histidine 36549 32124 39348 35747 41560 48178 130101 62274 67406 52023 AMP 326230 284927 334524 320930 347720 261468 403358 239349 283971 320936 dAMP 80822 49152 57508 109989 104212 114389 106393 55596 41445 93120 Guanosine 45232 43107 48205 27667 18171 49642 81790 45014 73266 69843 Guanine 398006 540356 523071 422348 505874 152054 267996 160342 137812 169331 CTP 366431 500759 446336 443608 366256 491022 493606 308607 442849 471932 CMP 8693 2355 8389 11950 10547 19882 35137 9221 10542 22310 Thymine 16687 6768 14219 24762 19203 7621 16075 15728 14830 12392 dTMP 1324 25933 13108 29367 21307 59859 68431 52721 43489 32377 UDP 2160930 2968379 2331145 2732843 2577174 2814836 3499321 2207379 2326017 4070405 UMP 160881 96003 137814 133323 137353 158378 191153 160222 112282 159718 Uracil 2143954 2616706 2450806 1859318 2057342 929915 1559197 809865 862504 824494 IMP 8450 20624 36133 30439 27268 63989 88889 86775 93622 86613 UDP-glucose 801511 779771 933732 829317 1020768 847105 1013795 929453 1053793 1268050 NAD+ 932015 937022 770992 898800 981490 957702 1139787 775609 898207 924020 NADH 39614 44773 25996 39375 45745 100151 100745 79812 90871 112022 Phosphate 188632 192450 172925 207033 207958 191497 233764 146978 230702 896205 D-Glucose 422903 387783 432033 533485 299194 920743 596805 557738 682201 818353 D-Hexose-phosphate 150994 73307 130306 151618 219294 244559 316812 351328 474077 746933 Phosphoenolpyruvate 41022 6922 2809 40543 57701 20507 77311 20535 43731 170275 Pyruvate 63885 60210 76964 71674 77463 116335 366973 91726 169255 475134 Lactate 4186475 4498820 4011501 3471598 3628528 792849 581972 448384 596954 811117 Maltose/Sucrose 164803 126461 137322 172048 163542 133875 202513 164360 149112 143982 Mannitol/Sorbitol/Glucitol/Iditol 6003628 8720915 7633176 5136829 6674774 3461540 3277083 3607316 3614931 3819679 Ribose/Ribulose/Arabinose/Xylose/Xylulose 97229 108195 116159 95218 68680 87919 98889 92498 102728 98138 D-Rhamnose 101093 124506 119963 82685 94594 70926 49028 65884 73852 62295 D-Arabitol/Xylitol/Ribitol 14290 15380 7302 0 18959 7707 11553 12040 14767 21708 Citrate 44651 41053 26701 73531 54528 50782 172060 59435 183322 1277906 2-Oxoglutarate 1841254 1401858 2077928 2030334 1710393 231712 241420 264428 669723 1383641 Succinate 4393044 5264596 4788436 3338711 5322885 5214360 6052340 4947123 5456433 5924507 Fumarate 81000 44586 53871 57428 90953 55090 47153 57393 70348 114340 Malate 1592094 981461 1245113 1333458 1602759 491773 641079 523496 1265293 2153341 2-Hydroxyglutarate 234749 194140 189909 226742 233963 280950 511032 218340 484950 1017726 UDP-N-acetyl-D-glucosamine 53901 81614 66811 27118 43905 39670 66835 46158 43272 25578 4-Acetamidobutanoate 160852 160860 106694 164826 155952 227613 182111 228733 184295 219923 Pantothenate 85273 103425 104863 114112 109914 284546 269117 278102 279431 310400 Pantetheine 4--phosphate 11243 17454 14973 13959 13092 10666 12569 10223 9706 7704 Pantetheine 239876 191127 187091 163224 132404 215248 253897 161454 216175 231307 Glycerol 3-phosphate 242886 161549 250813 243934 314199 116725 211262 139694 157908 323649 FA(4:0) 2748308 2583075 2510480 2580249 2064986 154359 170043 95082 120308 189658 FA(5:0) 36649 56821 57782 56418 40043 15147 23040 8205 24185 19647 FA(9:0) 302892 439954 328269 368374 337760 351758 464896 323962 348071 382469 FA(10:0) 245458 252831 237233 259711 224616 277467 253532 209255 232633 274529 FA(12:0) 378012 508060 496286 419267 520473 576790 522031 469359 498337 469578 FA(14:0) 1524800 1769697 1847407 1947607 1711017 1921482 3198457 1845668 1806048 1660137 FA(16:0) 104620424 139028416 128088320 141537072 140139952 120597208 138847744 111322552 116721768 117097696 FA(18:0) 81822568 94780288 91230296 101424424 102094528 84876536 94486080 73650504 84814904 75840216 FA(14:1) 184220 236471 205694 198955 179397 206500 544663 219273 254125 242223 FA(16:1) 1833710 2356319 2344473 2184401 1789921 2006588 4211885 1651400 1937308 2022844 FA(18:1) 7090986 7320832 8219228 8204740 7851158 7538094 10860960 7397160 6329560 7011207 FA(18:2) 907703 850432 940110 926144 974286 1002637 1195547 840479 892689 841955 FA(20:4) 45230 27286 34477 58859 33055 75419 67173 55278 107814 35765 FA(20:5) 303413 168907 161647 362568 107933 392611 367526 301143 758924 101103 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID Pathway parent(m/z) medRt Polarity L-aspartate C00049 Amino acids 132.031 0.499 [M-H]- L-glutamate C00025 Amino acids 146.046 0.500 [M-H]- L-histidine C00135 Amino acids 154.062 0.552 [M-H]- AMP C00020 Nucleotides 346.056 0.559 [M-H]- dAMP C00360 Nucleotides 330.058 0.557 [M-H]- Guanosine C00387 Nucleotides 282.084 0.560 [M-H]- Guanine C00242 Nucleotides 150.042 0.560 [M-H]- CTP C00063 Nucleotides 481.983 0.531 [M-H]- CMP C00055 Nucleotides 322.045 0.537 [M-H]- Thymine C00178 Nucleotides 125.036 0.574 [M-H]- dTMP C00364 Nucleotides 321.050 0.557 [M-H]- UDP C00015 Nucleotides 403.000 0.521 [M-H]- UMP C00105 Nucleotides 323.029 0.532 [M-H]- Uracil C00106 Nucleotides 111.020 0.561 [M-H]- IMP C00130 Nucleotides 347.040 0.557 [M-H]- UDP-glucose C00029 Nucleotides 565.048 0.504 [M-H]- NAD+ C00003 Nucleotides 662.102 0.556 [M-H]- NADH C00004 Nucleotides 664.116 0.556 [M-H]- Phosphate C00009 Phosphates 96.970 0.502 [M-H]- D-Glucose C00031 Glycolysis 179.056 0.539 [M-H]- D-Hexose-phosphate C02965 Glycolysis 259.022 0.496 [M-H]- Phosphoenolpyruvate C00074 Glycolysis 166.975 0.497 [M-H]- Pyruvate C00022 Glycolysis 87.009 0.502 [M-H]- Lactate C01432 Glycolysis 89.024 0.531 [M-H]- Maltose/Sucrose C00208 Other sugars 341.109 0.554 [M-H]- Mannitol/Sorbitol/Glucitol/Iditol C00392 Other sugars 181.072 0.541 [M-H]- Ribose/Ribulose/Arabinose/Xylose/Xylulose C00121 Other sugars 149.046 0.548 [M-H]- D-Rhamnose C01684 Other sugars 163.061 0.547 [M-H]- D-Arabitol/Xylitol/Ribitol C01904 Other sugars 151.061 0.545 [M-H]- Citrate C00158 TCA cycle 191.020 0.497 [M-H]- 2-Oxoglutarate C00026 TCA cycle 145.015 0.490 [M-H]- Succinate C00042 TCA cycle 117.019 0.484 [M-H]- Fumarate C00122 TCA cycle 115.004 0.491 [M-H]- Malate C00149 TCA cycle 133.014 0.498 [M-H]- 2-Hydroxyglutarate C02630 Alternative Carboxylic acids 147.030 0.498 [M-H]- UDP-N-acetyl-D-glucosamine C00043 Aminosugars 606.074 0.523 [M-H]- 4-Acetamidobutanoate C02946 Arginine and proline metabolism 144.067 0.557 [M-H]- Pantothenate C00864 Panthothenate metabolism 218.103 0.558 [M-H]- Pantetheine 4--phosphate C01134 Panthothenate metabolism 357.089 1.645 [M-H]- Pantetheine C00831 Panthothenate metabolism 277.123 1.738 [M-H]- Glycerol 3-phosphate C00093 Glycerophospholipid biosynthesis 171.006 0.499 [M-H]- FA(4:0) C00246 Saturated Fatty acids 87.045 0.568 [M-H]- FA(5:0) C00803 Saturated Fatty acids 101.061 0.563 [M-H]- FA(9:0) C01601 Saturated Fatty acids 157.123 2.036 [M-H]- FA(10:0) C01571 Saturated Fatty acids 171.139 2.106 [M-H]- FA(12:0) C02679 Saturated Fatty acids 199.170 2.244 [M-H]- FA(14:0) C06424 Saturated Fatty acids 227.202 2.398 [M-H]- FA(16:0) C00249 Saturated Fatty acids 255.233 2.596 [M-H]- FA(18:0) C01530 Saturated Fatty acids 283.264 2.889 [M-H]- FA(14:1) C08322 Monounsaturated Fatty Acids 225.186 2.274 [M-H]- FA(16:1) C08362 Monounsaturated Fatty Acids 253.217 2.434 [M-H]- FA(18:1) C00712 Monounsaturated Fatty Acids 281.249 2.629 [M-H]- FA(18:2) C01595 Poly-unsaturated Fatty Acids 279.233 2.462 [M-H]- FA(20:4) C00219 Poly-unsaturated Fatty Acids 303.233 2.724 [M-H]- FA(20:5) C06428 Poly-unsaturated Fatty Acids 301.217 2.520 [M-H]- METABOLITES_END #END