#METABOLOMICS WORKBENCH Zsw854402597_20241105_003005 DATATRACK_ID:5346 STUDY_ID:ST003567 ANALYSIS_ID:AN005860 PROJECT_ID:PR002201 VERSION 1 CREATED_ON 11-12-2024 #PROJECT PR:PROJECT_TITLE Analysis of maize Anther Wax, Cutin, and total fatty acids (TFA) of WT and enr1 PR:PROJECT_TITLE mutant PR:PROJECT_TYPE Detection of small molecular compounds in cutin and wax. Detection of free fatty PR:PROJECT_TYPE acids and dissociated long-chain fatty acids in TFA. PR:PROJECT_SUMMARY Lipid metabolism is very important for plant male reproduction. Many lipid PR:PROJECT_SUMMARY metabolism genes, male sterility (GMS) genes play a role in the endoplasmic PR:PROJECT_SUMMARY reticulum of anther tapetum, but little is known about GMS genes involved in the PR:PROJECT_SUMMARY de novo synthesis of fatty acids in anther tapetum. Using gene mapping, we PR:PROJECT_SUMMARY cloned a new GMS gene, enoyl-acyl carrier protein (ACP) reductase (ZmENR1). enr1 PR:PROJECT_SUMMARY (mutation of enoyl-ACP reductase gene) has early tapetum degradation, anther PR:PROJECT_SUMMARY epidermis and pollen exine defects. In order to further study the function of PR:PROJECT_SUMMARY ZmENR1, we compared the changes of lipid content in anthers of wild-type (WT) PR:PROJECT_SUMMARY and enr1 mutants at maturity. The expression of ZmENR1 significantly affected PR:PROJECT_SUMMARY the contents of cutin, wax and total fatty acids (TFA) in anthers. In addition, PR:PROJECT_SUMMARY enr1 mutant reduced the expression of cutin/wax and sporopollen related genes to PR:PROJECT_SUMMARY inhibit the formation of anther epidermis and pollen exine. Therefore, our PR:PROJECT_SUMMARY researches provide a new insight into the synthesis of fatty acids mediated by PR:PROJECT_SUMMARY ZmENR1, and provide an insight into the molecular mechanism of ZmENR1 regulating PR:PROJECT_SUMMARY maize male sterility. PR:INSTITUTE University of Science and Technology Beijing PR:LAST_NAME Zhang PR:FIRST_NAME Shaowei PR:ADDRESS 30 XUEYUAN ROAD, HAIDIAN DISTRICT, BEIJING 100083, CHINA PR:EMAIL b20200413@xs.ustb.edu.cn PR:PHONE 0086-13271969211 PR:DOI http://dx.doi.org/10.21228/M84517 #STUDY ST:STUDY_TITLE Enoyl-acyl carrier protein reductase (ZmENR1) expression level is critical for ST:STUDY_TITLE de novo fatty acid biosynthesis and anther cuticle and pollen exine formation in ST:STUDY_TITLE maize. ST:STUDY_SUMMARY Lipid metabolism is very important for plant male reproduction. Many lipid ST:STUDY_SUMMARY metabolism genes, male sterility (GMS) genes play a role in the endoplasmic ST:STUDY_SUMMARY reticulum of anther tapetum, but little is known about GMS genes involved in the ST:STUDY_SUMMARY de novo synthesis of fatty acids in anther tapetum. Using gene mapping, we ST:STUDY_SUMMARY cloned a new GMS gene, enoyl-acyl carrier protein (ACP) reductase (ZmENR1). enr1 ST:STUDY_SUMMARY (mutation of enoyl-ACP reductase gene) has early tapetum degradation, anther ST:STUDY_SUMMARY epidermis and pollen exine defects. In order to further study the function of ST:STUDY_SUMMARY ZmENR1, we compared the changes of lipid content in anthers of wild-type (WT) ST:STUDY_SUMMARY and enr1 mutants at maturity. The expression of ZmENR1 significantly affected ST:STUDY_SUMMARY the contents of cutin, wax and total fatty acids (TFA) in anthers. In addition, ST:STUDY_SUMMARY enr1 mutant reduced the expression of cutin/wax and sporopollen related genes to ST:STUDY_SUMMARY inhibit the formation of anther epidermis and pollen exine. Therefore, our ST:STUDY_SUMMARY researches provide a new insight into the synthesis of fatty acids mediated by ST:STUDY_SUMMARY ZmENR1, and provide an insight into the molecular mechanism of ZmENR1 regulating ST:STUDY_SUMMARY maize male sterility. ST:INSTITUTE University of Science and Technology Beijing ST:LAST_NAME Zhang ST:FIRST_NAME Shaowei ST:ADDRESS 30 XUEYUAN ROAD, HAIDIAN DISTRICT, BEIJING 100083, CHINA ST:EMAIL b20200413@xs.ustb.edu.cn ST:PHONE 0086-13271969211 ST:SUBMIT_DATE 2024-11-05 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Zea mays SU:TAXONOMY_ID 4577 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - cutin A223-1 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=cutin A223-1.CDF SUBJECT_SAMPLE_FACTORS - cutin A223-2 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=cutin A223-2.CDF SUBJECT_SAMPLE_FACTORS - cutin A223-3 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=cutin A223-3.CDF SUBJECT_SAMPLE_FACTORS - TFA A223-1 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=TFA A223-1.CDF SUBJECT_SAMPLE_FACTORS - TFA A223-2 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=TFA A223-2.CDF SUBJECT_SAMPLE_FACTORS - TFA A223-3 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=TFA A223-3.CDF SUBJECT_SAMPLE_FACTORS - Wax A223-1 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=Wax A223-1.CDF SUBJECT_SAMPLE_FACTORS - Wax A223-2 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=Wax A223-2.CDF SUBJECT_SAMPLE_FACTORS - Wax A223-3 Sample source:Anther | Genotype:enr1 mutant RAW_FILE_NAME=Wax A223-3.CDF SUBJECT_SAMPLE_FACTORS - cutin WT-1 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=cutin WT-1.CDF SUBJECT_SAMPLE_FACTORS - cutin WT-2 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=cutin WT-2.CDF SUBJECT_SAMPLE_FACTORS - cutin WT-3 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=cutin WT-3.CDF SUBJECT_SAMPLE_FACTORS - cutin WT-4 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=cutin WT-4.CDF SUBJECT_SAMPLE_FACTORS - TFA WT-1 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=TFA WT-1.CDF SUBJECT_SAMPLE_FACTORS - TFA WT-2 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=TFA WT-2.CDF SUBJECT_SAMPLE_FACTORS - TFA WT-3 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=TFA WT-3.CDF SUBJECT_SAMPLE_FACTORS - TFA WT-4 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=TFA WT-4.CDF SUBJECT_SAMPLE_FACTORS - Wax WT-1 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=Wax WT-1.CDF SUBJECT_SAMPLE_FACTORS - Wax WT-2 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=Wax WT-2.CDF SUBJECT_SAMPLE_FACTORS - Wax WT-3 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=Wax WT-3.CDF SUBJECT_SAMPLE_FACTORS - Wax WT-4 Sample source:Anther | Genotype:Wild-type RAW_FILE_NAME=Wax WT-4.CDF #COLLECTION CO:COLLECTION_SUMMARY Maize mutants of enoyl- ACP reductase gene (enr1) was obtained by ethyl methane CO:COLLECTION_SUMMARY sulfonate (EMS) of the maize inbred line Zheng58 in our laboratory. All CO:COLLECTION_SUMMARY wild-type (Zheng58) and mutant (enr1) materials are planted in the experimental CO:COLLECTION_SUMMARY field of University of Science and Technology Beijing (Beijing, Chinaï¼. Maize CO:COLLECTION_SUMMARY WT and enr1 mutant materials were planted under natural conditions. The anthers CO:COLLECTION_SUMMARY of WT and enr1 mutants in pollen mature stage were continuously sampled and CO:COLLECTION_SUMMARY freeze-dried for later use. CO:SAMPLE_TYPE Anther CO:COLLECTION_METHOD Use tweezers to peel off the anthers manually. #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To extract waxes, anthers of WT and enr1 mutant were submersed in 3 mL of SP:SAMPLEPREP_SUMMARY chloroform for 1 min. The resulting chloroform extracts were spiked with 30 mg SP:SAMPLEPREP_SUMMARY of docosanol and 10 mg of heptadecanoic acid as internal standards and SP:SAMPLEPREP_SUMMARY transferred to a new vial. The solvents were evaporated under a gentle stream of SP:SAMPLEPREP_SUMMARY nitrogen gas. The residue was derivatized with 100 SP:SAMPLEPREP_SUMMARY mLofN-methyl-N-(trimethylsilyl) trifluoroacetamide and incubated for 1 h at SP:SAMPLEPREP_SUMMARY 50°C. These derivatized samples were then analyzed by GC-MS (Agilent gas SP:SAMPLEPREP_SUMMARY chromatograph coupled to an Agilent 5975C quadrupole mass selective detector). SP:SAMPLEPREP_SUMMARY To extract anther cutin, anthers of WT and enr1 mutant were submersed in 3 mL of SP:SAMPLEPREP_SUMMARY chloroform: methanol (1:1, v/v). They were first incubated at 50°C for 30 min SP:SAMPLEPREP_SUMMARY and then 72 h with constant shaking at room temperature. The anthers were freeze SP:SAMPLEPREP_SUMMARY dried and submersed in 1 mL of 1 N methanolic HCl for 2 h at 80°C with 10 mg of SP:SAMPLEPREP_SUMMARY heptadecanoic acid as an internal standard. The hydrophobic monomers were SP:SAMPLEPREP_SUMMARY subsequently extracted three times with 1 mL of hexane after the addition of 2 SP:SAMPLEPREP_SUMMARY mL of saturated NaCl solution. The solvent evaporated, and the remaining samples SP:SAMPLEPREP_SUMMARY were derivatized as described above. These derivatized samples were then SP:SAMPLEPREP_SUMMARY analyzed by GC-MS (Agilent gas chromatograph coupled to an Agilent 5975C SP:SAMPLEPREP_SUMMARY quadrupole mass selective detector). To extract total fatty acids (TFA), anthers SP:SAMPLEPREP_SUMMARY WT and enr1 mutant were transesterified in 1mL of 1 N methanolic HCl (containing SP:SAMPLEPREP_SUMMARY 50 mg of heptadecanoic acid as an internal standard) for 4 h at 50°C.After the SP:SAMPLEPREP_SUMMARY addition of 1.5 mLof 0.9% (w/v) NaCl, the hydrophobic monomers were subsequently SP:SAMPLEPREP_SUMMARY extracted with 1.5 mL of hexane. The organic phases were evaporated under a SP:SAMPLEPREP_SUMMARY gentle stream of nitrogen gas. The residue was dissolved in 100 mL of hexane and SP:SAMPLEPREP_SUMMARY then analyzed by GC-MS (Agilent gas chromatograph coupled to an Agilent 5975C SP:SAMPLEPREP_SUMMARY quadrupole mass selective detector). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY These derivatized samples and dissolved fatty acids in hexane were analyzed by CH:CHROMATOGRAPHY_SUMMARY GC-MS (Agilent gas chromatograph coupled to an Agilent 5975C quadrupole mass CH:CHROMATOGRAPHY_SUMMARY selective detector), with the following parameters: chromatographic column CH:CHROMATOGRAPHY_SUMMARY DB5-MS (Agilent, 30mx0.25mx0.25μm). The temperature of injection port was CH:CHROMATOGRAPHY_SUMMARY 270â, the temperature of auxiliary heating device was 290â, the initial CH:CHROMATOGRAPHY_SUMMARY temperature of chromatographic column was 150â, and it was kept for 5min, and CH:CHROMATOGRAPHY_SUMMARY then it was increased by 5C to 325 C per minute for 7 min. The pressure is CH:CHROMATOGRAPHY_SUMMARY constantly changing during the heating process. The carrier gas was helium. We CH:CHROMATOGRAPHY_SUMMARY used stable flow mode (Agilent gas chromatograph) and the flow rate was 1mL/min. CH:CHROMATOGRAPHY_SUMMARY The split ratio was 10:1 and the ion source temperature was 230â. CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent DB5-MS (30m x 0.25mm, 0.25um) CH:COLUMN_TEMPERATURE The initial temperature of chromatographic column was 150â, and it was kept CH:COLUMN_TEMPERATURE for 5min, and then it was increased by 5â to 325 â per minute for 7 min. CH:FLOW_GRADIENT NA CH:FLOW_RATE 1.0mL/min CH:SOLVENT_A NA CH:SOLVENT_B NA CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:MS_COMMENTS The quadrupole temperature is 150â, and the ion scanning range is m/z50-650. MS:MS_COMMENTS All substances are determined in the NIST 08 and Fiehn databases. All data were MS:MS_COMMENTS collected by ChemStation and analyzed by METIDEA (2.04). MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts MS_METABOLITE_DATA_START Samples cutin A223-1 cutin A223-2 cutin A223-3 TFA A223-1 TFA A223-2 TFA A223-3 Wax A223-1 Wax A223-2 Wax A223-3 cutin WT-1 cutin WT-2 cutin WT-3 cutin WT-4 TFA WT-1 TFA WT-2 TFA WT-3 TFA WT-4 Wax WT-1 Wax WT-2 Wax WT-3 Wax WT-4 Factors Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:enr1 mutant Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type Sample source:Anther | Genotype:Wild-type 1-Hexacosanol 17219342.0000 7787344.0000 18869787.0000 363386.0000 626105.0000 1084551.0000 1466925.0000 1-Pentacosanol 59447741.0000 1627162.0000 58002519.0000 1-Tetracosanol 39329397.0000 38724396.0000 46999378.0000 2534534.0000 6800856.0000 5733599.0000 5926695.0000 1-Triacontanol 5774336.0000 21293695.0000 3894878.0000 3868783.0000 5102612.0000 4312936.0000 4823810.0000 9_12_15-Octadecatrienoic acid_ methyl ester_ (Z_Z_Z) 218392.0000 305874.0000 253018.0000 8710849.0000 5514865.0000 8688996.0000 7820988.0000 9_12-Octadecadienoic acid_ 18-(trimethylsiloxy)_ methyl ester 31276.0000 151878.0000 18803.0000 105092.0000 146791.0000 167414.0000 199691.0000 9_12-Octadecadienoic acid (Z_Z)_ methyl ester 4418804.0000 2155183.0000 4705991.0000 3874932.0000 2092320.0000 3717067.0000 6422797.0000 9-Octadecenoic acid_ 18-(trimethylsiloxy)_ methyl ester 142125.0000 713110.0000 88235.0000 522484.0000 679199.0000 695239.0000 846025.0000 9-Octadecenoic acid (Z)_ methyl ester 572006.0000 133274.0000 535238.0000 792786.0000 477950.0000 786875.0000 547290.0000 cis-11-Eicosenoic acid 40009.0000 27522.0000 44426.0000 35137.0000 47637.0000 54740.0000 Docosane 22780254.0000 14033470.0000 24261647.0000 3934142.0000 6624078.0000 9610783.0000 10591349.0000 Docosanedioic acid_ dimethyl ester 81266.0000 2660.0000 85146.0000 Docosanoic acid 10950716.0000 8298697.0000 11444022.0000 709533.0000 1090378.0000 2382898.0000 2700886.0000 Docosanoic acid_1 500038.0000 568985.0000 586142.0000 288062.0000 299222.0000 277370.0000 Docosanoic acid_ 22-(trimethylsiloxy)_ methyl ester 1385551.0000 75241.0000 1428463.0000 13413.0000 36586.0000 5309.0000 8812.0000 Docosanoic acid_ 2-[(trimethylsilyl)oxy]_ methyl ester 3196803.0000 815172.0000 3440992.0000 707517.0000 424311.0000 818817.0000 588596.0000 Docosanoic acid_ methyl ester 1292430.0000 326831.0000 1292762.0000 460475.0000 273554.0000 520884.0000 336851.0000 (docosyloxy)trimethyl-Silane 743126.0000 23595.0000 797302.0000 7869.0000 15880.0000 7201.0000 9799.0000 Dodecanoic acid 8236.0000 22153.0000 9651.0000 20162.0000 5772.0000 15172.0000 15486.0000 Dodecanoic acid_1 13684.0000 52532.0000 14612.0000 40848.0000 31392.0000 42659.0000 Dotriacontane 8376140.0000 3918547.0000 7528999.0000 212636.0000 317364.0000 842641.0000 862405.0000 (E)-9-Octadecenoic acid 141322830.0000 142588773.0000 140056886.0000 98547673.0000 114436291.0000 112470060.0000 124398279.0000 (E)-9-Octadecenoic acid_ methyl ester 218112.0000 28318.0000 220537.0000 105489.0000 82606.0000 92141.0000 195830.0000 Eicosanoic acid 28379490.0000 15928069.0000 33464819.0000 4287046.0000 5599636.0000 10590509.0000 12666040.0000 Eicosanoic acid_1 788582.0000 666626.0000 1037319.0000 913284.0000 915999.0000 1015923.0000 Eicosanoic acid_ methyl ester 1914572.0000 369574.0000 1969676.0000 1028022.0000 594764.0000 1127647.0000 1066101.0000 Hentriacontane 52458631.0000 4067131.0000 50963447.0000 233728.0000 1115493.0000 1125354.0000 1137325.0000 Heptacosane 353602101.0000 152055827.0000 355209866.0000 17197001.0000 28294572.0000 32356084.0000 37034444.0000 Hexacosane 13739579.0000 2210248.0000 16085797.0000 680715.0000 562342.0000 1087820.0000 1292625.0000 hexacosanoic acid 544612750.0000 307118392.0000 595918715.0000 155521987.0000 195132056.0000 193071033.0000 214531069.0000 Hexacosanoic acid 122826.0000 291347.0000 105912.0000 120885.0000 139664.0000 116037.0000 Hexacosanoic acid_ methyl ester 230167.0000 196513.0000 237951.0000 100698.0000 32944.0000 97423.0000 88434.0000 Hexadecanoic acid 1852030.0000 2484231.0000 1833065.0000 203.0000 10288632.0000 16119272.0000 14793139.0000 Hexadecanoic acid_ 16-(trimethylsiloxy)_ methyl ester 6876398.0000 9549494.0000 7008956.0000 28146951.0000 13243967.0000 19050395.0000 16262295.0000 Hexadecanoic acid_ trimethylsilyl ester 492759.0000 238288.0000 445836.0000 2057567.0000 1217354.0000 1844904.0000 1651942.0000 Methyl 2-hydroxy-hexacosanoate_ trimethylsilyl ether 1318100.0000 659432.0000 1360882.0000 499405.0000 295252.0000 552737.0000 490594.0000 Methyl palmitoleate 118867.0000 43068.0000 111500.0000 70638.0000 36080.0000 62324.0000 53850.0000 Methyl tetradecanoate 28522.0000 70894.0000 29199.0000 72725.0000 28847.0000 66125.0000 81630.0000 Nonacosane 67378019.0000 47188371.0000 75212155.0000 9622263.0000 14940296.0000 13274884.0000 17026452.0000 Nonadecanoic acid 913430.0000 950758.0000 965643.0000 734076.0000 716702.0000 1165506.0000 n-tetratriacontane 6703460.0000 6768051.0000 7339969.0000 2297143.0000 3936885.0000 15332274.0000 18100998.0000 Octacosane 14553434.0000 12812232.0000 20456576.0000 228535.0000 929694.0000 750975.0000 1288060.0000 Octacosanoic acid 153882647.0000 323815892.0000 142302732.0000 413166298.0000 403048960.0000 478641944.0000 515720984.0000 Octacosanoic acid_1 124486.0000 402026.0000 112221.0000 340317.0000 451071.0000 269749.0000 Octacosanol 28789308.0000 55103389.0000 26021335.0000 13359694.0000 16991479.0000 18972063.0000 19616896.0000 Octadecanedioic acid_ 9_10-bis(trimethylsiloxy)_ dimethyl ester 1369379.0000 2592252.0000 1168048.0000 5968519.0000 6454294.0000 5326877.0000 9994631.0000 Octadecanoic acid 10215552.0000 4353494.0000 13924761.0000 817323.0000 1156291.0000 1477841.0000 1977551.0000 Octadecanoic acid_1 29935.0000 26199.0000 28464.0000 122437.0000 141158.0000 207446.0000 Octadecanoic acid_ 2-[(trimethylsilyl)oxy]_ methyl ester 1111820.0000 534702.0000 1154415.0000 638198.0000 360607.0000 691013.0000 713571.0000 Octadecanoic acid_ 9_10_18-tris[(trimethylsilyl)oxy]_ methyl ester 229667.0000 1190071.0000 123538.0000 1314284.0000 1142783.0000 825828.0000 1384863.0000 Octadecanoic acid_ methyl ester 1748888.0000 867102.0000 1658390.0000 982497.0000 445068.0000 880747.0000 1283083.0000 Palmitic acid_ methyl ester 5167154.0000 2146971.0000 5116373.0000 28049907.0000 18784318.0000 28300153.0000 25119767.0000 Pentacosane 31781664.0000 3888182.0000 25321882.0000 854608.0000 972706.0000 1636014.0000 1430073.0000 Pentatriacontane 17182835.0000 44521842.0000 15503464.0000 21350325.0000 37665872.0000 29690976.0000 32679250.0000 Silane_ (hexadecyloxy)trimethyl 330152.0000 15630.0000 319592.0000 13252.0000 15424.0000 13899.0000 12146.0000 Tetracosane 12455798.0000 9477080.0000 12487161.0000 1711784.0000 4290294.0000 7499720.0000 9531046.0000 Tetracosanoic acid 769375106.0000 462259257.0000 824666594.0000 109077753.0000 217760625.0000 175585368.0000 188250095.0000 Tetracosanoic acid_1 471800.0000 534620.0000 495708.0000 244172.0000 185466.0000 238044.0000 Tetracosanoic acid_ 2-[(trimethylsilyl)oxy]_ methyl ester 4629524.0000 1385814.0000 4850793.0000 1612769.0000 1131765.0000 1707569.0000 1610929.0000 Tetracosanoic acid_ methyl ester 963633.0000 353997.0000 962520.0000 255688.0000 119259.0000 240845.0000 261948.0000 Tetradecanoic acid 26393.0000 89409.0000 19399.0000 75813.0000 72177.0000 96169.0000 Tetratriacontanol 5883741.0000 7366927.0000 Triacontane 6944959.0000 1363698.0000 6845400.0000 Tricosane 12885803.0000 10322798.0000 17089095.0000 862180.0000 1780476.0000 2774555.0000 4396139.0000 Tritriacontane 14591418.0000 7266406.0000 11231261.0000 2343226.0000 1018397.0000 2534234.0000 4228501.0000 (Z)-9-Hexadecenoic acid 29345.0000 37954.0000 22464.0000 28403.0000 46109.0000 45058.0000 (Z)-9-octadecenoate 115884.0000 350430.0000 113721.0000 4641886.0000 7150038.0000 6926685.0000 (Z_Z)-9_12-Octadecadienoic acid 7885864.0000 4294221.0000 11188708.0000 374043.0000 460426.0000 638632.0000 519649.0000 (Z_Z)-9_12-Octadecadienoic acid_1 929714.0000 1055082.0000 945530.0000 845866.0000 865665.0000 934453.0000 (Z_Z_Z)-9_12_15-Octadecatrienoic acid 1160137.0000 2446572.0000 1135993.0000 5845.0000 2800383.0000 3937647.0000 6709601.0000 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 1-Hexacosanol 68171 C08381 1-Pentacosanol 92247 - 1-Tetracosanol 10472 - 1-Triacontanol 68972 C08392 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z) 5319706 - 292 9,12-Octadecadienoic acid, 18-(trimethylsiloxy), methyl ester 5366405 - 382 9,12-Octadecadienoic acid (Z,Z), methyl ester 5284421 - 294 9-Octadecenoic acid, 18-(trimethylsiloxy), methyl ester 5366421 - 384 9-Octadecenoic acid (Z), methyl ester 5364509 - 264 cis-11-Eicosenoic acid 5282768 C16526 292 Docosane 12405 C13822 Docosanedioic acid, dimethyl ester 566762 - 367 Docosanoic acid 8215 C03049 Docosanoic acid_1 8215 C08281 354 Docosanoic acid, 22-(trimethylsiloxy), methyl ester 554384 - 427 Docosanoic acid, 2-[(trimethylsilyl)oxy], methyl ester 524465 - 427 Docosanoic acid, methyl ester 13584 - 354 (docosyloxy)trimethyl-Silane - 383 Dodecanoic acid - 214 Dodecanoic acid_1 3893 C02679 214 Dotriacontane 11008 - (E)-9-Octadecenoic acid 637517 - (E)-9-Octadecenoic acid, methyl ester 9546744 - 296 Eicosanoic acid 10467 C06425 Eicosanoic acid_1 10467 C06425 326 Eicosanoic acid, methyl ester 14259 - 326 Hentriacontane 12410 C08376 Heptacosane 11636 - Hexacosane 12407 - hexacosanoic acid 10469 C21931 Hexacosanoic acid 10469 C21931 410 Hexacosanoic acid, methyl ester 22048 - 410 Hexadecanoic acid 985 C00249 270 Hexadecanoic acid, 16-(trimethylsiloxy), methyl ester 554929 - 311 Hexadecanoic acid, trimethylsilyl ester 521638 - 313 Methyl 2-hydroxy-hexacosanoate, trimethylsilyl ether 524467 - 483 Methyl palmitoleate 643801 - 236 Methyl tetradecanoate 31284 - 242 Nonacosane 12409 C08384 Nonadecanoic acid 12591 C16535 298 n-tetratriacontane 26519 - Octacosane 12408 - Octacosanoic acid 10470 C21933 Octacosanoic acid_1 10470 C21933 438 Octacosanol 68406 C08387 Octadecanedioic acid, 9,10-bis(trimethylsiloxy), dimethyl ester 621127 - 259 Octadecanoic acid 5281 C00869 Octadecanoic acid_1 5281 C01530 296 Octadecanoic acid, 2-[(trimethylsilyl)oxy], methyl ester 524479 - 327 Octadecanoic acid, 9,10,18-tris[(trimethylsilyl)oxy], methyl ester 553634 - 303 Octadecanoic acid, methyl ester 8201 - 298 Palmitic acid, methyl ester 8181 - 270 Pentacosane 12406 - Pentatriacontane 12413 - Silane, (hexadecyloxy)trimethyl 22588 - 299 Tetracosane 12592 - Tetracosanoic acid 11197 C08320 Tetracosanoic acid_1 11197 C08320 382 Tetracosanoic acid, 2-[(trimethylsilyl)oxy], methyl ester 524471 - 455 Tetracosanoic acid, methyl ester 75546 - 382 Tetradecanoic acid 11005 C06424 242 Tetratriacontanol 185639 - Triacontane 12535 C08376 Tricosane 12534 C17433 Tritriacontane 12411 C08393 (Z)-9-Hexadecenoic acid 445638 C08362 236 (Z)-9-octadecenoate 5460221 C14641 292 (Z,Z)-9,12-Octadecadienoic acid 5280450 - (Z,Z)-9,12-Octadecadienoic acid_1 5280450 C01595  284 (Z,Z,Z)-9,12,15-Octadecatrienoic acid 5280934 C06427  294 METABOLITES_END #END