{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000164","ANALYSIS_ID":"AN000256","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Bone marrow metabolomics of MKR mice under metformin treatment","PROJECT_TYPE":"Untargeted Metabolomics on metformin responses in bone marrows of diabetic mice","PROJECT_SUMMARY":"-","INSTITUTE":"New York University","DEPARTMENT":"College of Dentistry, Basic Science and Craniofacial Biology","LABORATORY":"Xin Li Laboratory","LAST_NAME":"Xin","FIRST_NAME":"Li","ADDRESS":"345 East 24th Street, Room 901D, New York, NY 10010","EMAIL":"xl15@nyu.edu","PHONE":"1-(212)992-7009","FUNDING_SOURCE":"NIH grants R01CA180277, CA172894, 5R01GM06248012-12, NIDDK grant California Institute for Regenerative Medicine grant RB4-06087."},

"STUDY":{"STUDY_TITLE":"Metabolomic analysis of normal and diabetic mouse bone marrow under PBS or treatment","STUDY_TYPE":"Untargeted Metabolomics","STUDY_SUMMARY":"Wild type and diabetic (MKR) mice were treated daily with intraperitoneal of 50 microliters of PBS (control) or metformin (200 mg/kg body weight) for 14 Their bone marrow cells were collected and compared by untargeted metabolomics.","INSTITUTE":"New York University","DEPARTMENT":"College of Dentistry, Basic Science and Craniofacial Biology","LABORATORY":"Xin Li Laboratory","LAST_NAME":"Xin","FIRST_NAME":"Li","ADDRESS":"345 East 24th Street, Room 901D, New York, NY 10010","EMAIL":"xl15@nyu.edu","PHONE":"1-(212)992-7009","NUM_GROUPS":"4","TOTAL_SUBJECTS":"15 samples","STUDY_COMMENTS":"each sample with 3 technical replicates in each mode"},

"SUBJECT":{"SUBJECT_TYPE":"Human;Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"FVB (wild type)|MKR (FVB background)","AGE_OR_AGE_RANGE":"12 week old|12 week old","GENDER":"male|male","ANIMAL_ANIMAL_SUPPLIER":"JAX lab|LeRoith laboratory"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"MKRM1",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRM2",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRM3",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP1",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP2",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP3",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP4",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTM1",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM2",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM3",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM4",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTP1",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP2",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP3",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP4",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","COLLECTION_PROTOCOL_FILENAME":"Protocol_Methods_metformin_Li.pdf","SAMPLE_TYPE":"total bone marrow flush (cells)","STORAGE_CONDITIONS":"-20°C"},

"TREATMENT":{"TREATMENT_SUMMARY":"-","TREATMENT":"abiotic","TREATMENT_COMPOUND":"metformin","TREATMENT_ROUTE":"Intraperitoneal injection","TREATMENT_DOSE":"200 mg/kg body weight","TREATMENT_DOSEVOLUME":"50 microliters","TREATMENT_DOSEDURATION":"daily for 14 days","TREATMENT_VEHICLE":"phosphate buffered solution"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen cells were mixed with dry ice-cool 80% methanol (mass-spec grade) at a of 30 ?L/million cells, and then quickly thawed on heat block set at 50 °C for min. The suspension was then processed by three rounds of 1 min vortex at max chilled briefly on dry ice. The mixture was incubated at 4°C for 1 hour before at 20,000 x g for 20 min at 4 °C. The supernatant was stored at -20 °C and as metabolite extract for LC-MS analysis.","SAMPLEPREP_PROTOCOL_FILENAME":"Protocol_Methods_metformin_Li.pdf","PROCESSING_METHOD":"Homogenization and Centrifugation","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"80% Methanol","EXTRACT_STORAGE":"-20°C","CELL_TYPE":"bone marrow"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untarged mix-mode method","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Exactive","COLUMN_NAME":"Shodex ODP2 HP-4B 5um polymer 4.6 x 50 mm","COLUMN_PRESSURE":"150 Bar (Max)","COLUMN_TEMPERATURE":"45","FLOW_GRADIENT":"0-15 min -1% B, 15-19 min- gradient 1 to 99% B, 18-24 min- 99% B, 24-25 99% to 1% B, 25-30 min-1% B","FLOW_RATE":"0.1 ml/min","INJECTION_TEMPERATURE":"4 C","SAMPLE_INJECTION":"5 uL","SOLVENT_A":"10% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O","SOLVENT_B":"90% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O","ANALYTICAL_TIME":"30 min","CAPILLARY_VOLTAGE":"3.5 kv (positive), 3.1 kv (negative)","TRANSFERLINE_TEMPERATURE":"275C","WASHING_BUFFER":"10% Acetonitrile","WEAK_WASH_SOLVENT_NAME":"10% Acetonitrile","WEAK_WASH_VOLUME":"600 uL","STRONG_WASH_SOLVENT_NAME":"90% Acetonitrile","STRONG_WASH_VOLUME":"200 uL","SAMPLE_LOOP_SIZE":"20 uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Snyder Laboratory","ACQUISITION_DATE":"41773","SOFTWARE_VERSION":"Xcalibur v2.1","OPERATOR_NAME":"Xiyan Li","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_TEMPERATURE":"30V","COLLISION_GAS":"40 units","ION_SOURCE_TEMPERATURE":"3.5 kv","ION_SPRAY_VOLTAGE":"Electrospray Ionization","IONIZATION_POTENTIAL":"< 2ppm","ATOM_GUN_CURRENT":"3000000","SAMPLE_DRIPPING":"75-1200","SCANNING_RANGE":"20 v","SKIMMER_VOLTAGE":"120 v","MS_COMMENTS":"positive mode"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"1-Linoleoylglycerophosphocholine","MKRM1":"19925.8906","MKRM2":"18232.3286","MKRM3":"29872.4228","MKRP1":"10333.4923","MKRP2":"30833.5332","MKRP3":"39441.8650","MKRP4":"48487.8598","WTM1":"18642.3730","WTM2":"65424.0633","WTM3":"31619.1863","WTM4":"65275.7139","WTP1":"106820.9866","WTP2":"71199.6493","WTP3":"36082.6676","WTP4":"50383.4914"},{"Metabolite":"24_25-hydroxyvitamin D3","MKRM1":"6599.2196","MKRM2":"8806.9461","MKRM3":"6625.5345","MKRP1":"4434.2163","MKRP2":"7586.6180","MKRP3":"8299.8912","MKRP4":"6346.6920","WTM1":"3465.0582","WTM2":"5998.5591","WTM3":"5506.6727","WTM4":"13085.5177","WTP1":"19054.3567","WTP2":"12349.3204","WTP3":"4904.6026","WTP4":"7105.1435"},{"Metabolite":"2-Methylbutyroylcarnitine","MKRM1":"54588.4440","MKRM2":"55233.7423","MKRM3":"76996.5394","MKRP1":"67243.8380","MKRP2":"82155.1457","MKRP3":"76228.1635","MKRP4":"82836.1988","WTM1":"76024.2942","WTM2":"71660.0062","WTM3":"57365.6288","WTM4":"79323.7339","WTP1":"55315.7409","WTP2":"88430.5111","WTP3":"63895.1205","WTP4":"57377.2961"},{"Metabolite":"2-Pyrrolidinone","MKRM1":"62083.4078","MKRM2":"48310.4154","MKRM3":"64183.7992","MKRP1":"76881.1566","MKRP2":"71307.0967","MKRP3":"92921.4106","MKRP4":"76190.5957","WTM1":"62468.4457","WTM2":"93179.5864","WTM3":"125903.8441","WTM4":"108056.1892","WTP1":"86165.5413","WTP2":"76570.2521","WTP3":"121696.3443","WTP4":"89781.9342"},{"Metabolite":"3-Hydroxy-L-proline","MKRM1":"151919.9361","MKRM2":"118145.6683","MKRM3":"126520.3296","MKRP1":"68005.1747","MKRP2":"119507.1527","MKRP3":"175854.7781","MKRP4":"342441.9163","WTM1":"118053.4904","WTM2":"316048.8245","WTM3":"159857.0090","WTM4":"236293.1917","WTP1":"231038.9090","WTP2":"263243.5348","WTP3":"130672.0839","WTP4":"425666.7811"},{"Metabolite":"3-Methyl-2-oxovaleric acid","MKRM1":"14378.9628","MKRM2":"11034.9334","MKRM3":"9428.5381","MKRP1":"12852.0586","MKRP2":"7825.4490","MKRP3":"11059.1244","MKRP4":"10185.0739","WTM1":"5815.3838","WTM2":"14021.9107","WTM3":"16794.3805","WTM4":"14017.5642","WTP1":"17535.4451","WTP2":"14240.4605","WTP3":"9298.5634","WTP4":"2781.6456"},{"Metabolite":"4-Aminobutyraldehyde","MKRM1":"3718439.6667","MKRM2":"3668351.6610","MKRM3":"4036461.5110","MKRP1":"4451605.0727","MKRP2":"3607080.0520","MKRP3":"4070734.7827","MKRP4":"4221424.9753","WTM1":"3088017.8110","WTM2":"3719710.0470","WTM3":"3814893.9180","WTM4":"3593063.6037","WTP1":"3499189.3083","WTP2":"3511266.0583","WTP3":"3570760.2727","WTP4":"3778423.9353"},{"Metabolite":"4-Guanidinobutanamide","MKRM1":"18829.8633","MKRM2":"19508.7481","MKRM3":"17791.9323","MKRP1":"20723.9300","MKRP2":"16783.4989","MKRP3":"15580.1838","MKRP4":"14029.0238","WTM1":"17805.3479","WTM2":"16828.4147","WTM3":"15611.8416","WTM4":"14483.4597","WTP1":"18554.0563","WTP2":"16449.6967","WTP3":"18460.8019","WTP4":"15561.3105"},{"Metabolite":"4-Guanidinobutanoic acid","MKRM1":"5152.7812","MKRM2":"5580.3338","MKRM3":"4708.3704","MKRP1":"4208.7872","MKRP2":"4112.7468","MKRP3":"5088.8798","MKRP4":"4650.0181","WTM1":"4759.8994","WTM2":"4292.1827","WTM3":"4324.4624","WTM4":"3945.0330","WTP1":"4604.9976","WTP2":"5167.4136","WTP3":"5249.5430","WTP4":"4684.5292"},{"Metabolite":"4-Hydroxypyridine","MKRM1":"12500.1916","MKRM2":"14155.1250","MKRM3":"11803.7607","MKRP1":"11653.0735","MKRP2":"24237.0596","MKRP3":"16649.2244","MKRP4":"22050.9374","WTM1":"21569.3824","WTM2":"21564.4021","WTM3":"12667.6685","WTM4":"19710.7823","WTP1":"14226.9027","WTP2":"14919.8553","WTP3":"18776.5882","WTP4":"13354.5310"},{"Metabolite":"7-ketocholesterol","MKRM1":"294287.9120","MKRM2":"450459.2661","MKRM3":"976893.3764","MKRP1":"45730.9083","MKRP2":"463411.2921","MKRP3":"366243.7225","MKRP4":"18008.3920","WTM1":"31049.7910","WTM2":"59251.7930","WTM3":"124820.3202","WTM4":"2336790.3088","WTP1":"3828477.7495","WTP2":"2249960.7349","WTP3":"336794.7740","WTP4":"35759.3550"},{"Metabolite":"Acetylcarnitine","MKRM1":"4321038.2183","MKRM2":"5751945.2270","MKRM3":"7232268.1513","MKRP1":"3046105.9160","MKRP2":"7504957.2743","MKRP3":"11826080.5800","MKRP4":"19683397.8067","WTM1":"3434411.6560","WTM2":"5374427.5817","WTM3":"3240523.9563","WTM4":"4532979.6470","WTP1":"5378016.7113","WTP2":"4034349.6130","WTP3":"3476370.8890","WTP4":"15610565.0233"},{"Metabolite":"Acetylcholine","MKRM1":"300208.2366","MKRM2":"346353.7820","MKRM3":"466171.0646","MKRP1":"175620.0294","MKRP2":"466079.0385","MKRP3":"732426.2479","MKRP4":"1277018.2657","WTM1":"343337.5223","WTM2":"837383.3032","WTM3":"340372.9332","WTM4":"681995.9340","WTP1":"651725.8818","WTP2":"746979.4649","WTP3":"441300.0392","WTP4":"1234372.2416"},{"Metabolite":"Acetyl-L-serine","MKRM1":"16483.5648","MKRM2":"17065.4046","MKRM3":"20755.5852","MKRP1":"12879.7187","MKRP2":"25198.5838","MKRP3":"33229.9275","MKRP4":"57602.9565","WTM1":"23108.6200","WTM2":"24062.2733","WTM3":"19982.3585","WTM4":"21409.6545","WTP1":"25289.1239","WTP2":"25012.6255","WTP3":"13764.0932","WTP4":"50856.1148"},{"Metabolite":"Adenosine","MKRM1":"24993.4206","MKRM2":"17183.4484","MKRM3":"10159.4415","MKRP1":"7038.0631","MKRP2":"18434.5918","MKRP3":"32435.9476","MKRP4":"10243.4641","WTM1":"13964.0207","WTM2":"20793.1434","WTM3":"11314.8526","WTM4":"30433.3136","WTP1":"24462.0177","WTP2":"51019.4057","WTP3":"7591.6877","WTP4":"63396.1303"},{"Metabolite":"ADMA","MKRM1":"5027.8469","MKRM2":"6919.7858","MKRM3":"16189.5514","MKRP1":"5877.5960","MKRP2":"10989.9653","MKRP3":"14290.0234","MKRP4":"19508.6033","WTM1":"10975.9880","WTM2":"23329.1145","WTM3":"9850.1764","WTM4":"7849.0631","WTP1":"8611.8181","WTP2":"11431.3216","WTP3":"12789.6919","WTP4":"20980.9596"},{"Metabolite":"ADP-ribose","MKRM1":"2067.1819","MKRM2":"2376.1075","MKRM3":"2219.3896","MKRP1":"595.7992","MKRP2":"2064.5404","MKRP3":"2877.2693","MKRP4":"4486.7322","WTM1":"880.8115","WTM2":"2437.9524","WTM3":"2059.8068","WTM4":"3120.9354","WTP1":"3423.1679","WTP2":"3172.4597","WTP3":"1287.6503","WTP4":"4734.7503"},{"Metabolite":"Agmatine","MKRM1":"8219.9888","MKRM2":"8554.7050","MKRM3":"5286.5415","MKRP1":"2051.4274","MKRP2":"4048.7582","MKRP3":"5259.5071","MKRP4":"2045.8654","WTM1":"2071.5553","WTM2":"8354.5722","WTM3":"8922.4300","WTM4":"4480.7011","WTP1":"7235.9567","WTP2":"3313.4907","WTP3":"4280.3253","WTP4":"7693.6145"},{"Metabolite":"Alanine","MKRM1":"879836.1067","MKRM2":"947992.1215","MKRM3":"1567992.8564","MKRP1":"442501.4262","MKRP2":"1485432.1685","MKRP3":"2175556.3850","MKRP4":"3091913.9293","WTM1":"1027916.3964","WTM2":"2507025.6717","WTM3":"1235217.5000","WTM4":"1387161.8377","WTP1":"1159929.4833","WTP2":"1326349.1163","WTP3":"1221832.1050","WTP4":"3991136.8727"},{"Metabolite":"Allantoate","MKRM1":"4386.3185","MKRM2":"3453.2522","MKRM3":"3522.7609","MKRP1":"5831.8075","MKRP2":"3836.5510","MKRP3":"3797.9254","MKRP4":"5608.7392","WTM1":"4047.5139","WTM2":"4219.4142","WTM3":"4593.5933","WTM4":"4092.0306","WTP1":"4801.5280","WTP2":"5054.4580","WTP3":"4686.9820","WTP4":"6654.7863"},{"Metabolite":"Aminoadipic acid","MKRM1":"9878.0014","MKRM2":"11368.5189","MKRM3":"44080.4632","MKRP1":"12523.5572","MKRP2":"43078.5430","MKRP3":"85712.5405","MKRP4":"569255.9895","WTM1":"212049.5733","WTM2":"450935.5235","WTM3":"208071.8055","WTM4":"354233.0486","WTP1":"198672.7430","WTP2":"317409.1120","WTP3":"152863.8388","WTP4":"722336.0476"},{"Metabolite":"Aminoethylphosphonic acid","MKRM1":"92242.2672","MKRM2":"92248.7123","MKRM3":"108485.3324","MKRP1":"53827.0503","MKRP2":"119554.7845","MKRP3":"165431.1270","MKRP4":"232485.2077","WTM1":"95621.2332","WTM2":"161438.7445","WTM3":"106837.3289","WTM4":"160154.7120","WTP1":"145638.5721","WTP2":"177526.7657","WTP3":"95366.4510","WTP4":"231457.2605"},{"Metabolite":"Aminopropanol","MKRM1":"2662.1018","MKRM2":"2376.7275","MKRM3":"2557.3141","MKRP1":"1954.7958","MKRP2":"2317.2854","MKRP3":"2675.9078","MKRP4":"3874.2830","WTM1":"3102.0924","WTM2":"2786.8150","WTM3":"1995.6547","WTM4":"2958.6564","WTP1":"4296.3186","WTP2":"4621.0519","WTP3":"2725.9056","WTP4":"5115.7682"},{"Metabolite":"AMP","MKRM1":"47908.2516","MKRM2":"113829.0903","MKRM3":"43770.5710","MKRP1":"17299.8473","MKRP2":"61589.9464","MKRP3":"62339.4256","MKRP4":"49312.0162","WTM1":"27060.2581","WTM2":"70132.6074","WTM3":"50625.0566","WTM4":"60421.9068","WTP1":"115244.2275","WTP2":"65698.0037","WTP3":"29547.6065","WTP4":"68011.5210"},{"Metabolite":"Anthranilic acid","MKRM1":"9161.6626","MKRM2":"6686.8478","MKRM3":"9197.5003","MKRP1":"12309.5035","MKRP2":"9277.6329","MKRP3":"13587.4865","MKRP4":"14653.4043","WTM1":"11505.9082","WTM2":"12900.2671","WTM3":"13382.3728","WTM4":"5217.7637","WTP1":"11246.2799","WTP2":"12453.8561","WTP3":"10058.5990","WTP4":"13024.8064"},{"Metabolite":"Arabitol","MKRM1":"7762.6569","MKRM2":"6850.5079","MKRM3":"6244.7660","MKRP1":"11821.9631","MKRP2":"6466.5772","MKRP3":"4481.5824","MKRP4":"89580.5833","WTM1":"7644.5479","WTM2":"4749.9208","WTM3":"7215.8662","WTM4":"6647.5181","WTP1":"6732.2154","WTP2":"5413.0399","WTP3":"7362.9161","WTP4":"128705.5701"},{"Metabolite":"Arachidonic Acid","MKRM1":"16963.6178","MKRM2":"21461.7840","MKRM3":"21649.1877","MKRP1":"18647.3830","MKRP2":"19328.3654","MKRP3":"15045.1224","MKRP4":"16879.0895","WTM1":"14562.3211","WTM2":"15207.8702","WTM3":"12898.0998","WTM4":"13083.3645","WTP1":"29811.3872","WTP2":"27992.1785","WTP3":"20200.2631","WTP4":"15799.5092"},{"Metabolite":"Arachidonoyl Ethanolamide","MKRM1":"1810.8446","MKRM2":"2085.2624","MKRM3":"1859.4200","MKRP1":"1586.0279","MKRP2":"1807.2302","MKRP3":"2070.9412","MKRP4":"2761.6620","WTM1":"1756.4772","WTM2":"2019.7173","WTM3":"1678.1281","WTM4":"1476.9239","WTP1":"2100.3630","WTP2":"2062.3708","WTP3":"1735.6745","WTP4":"3967.4061"},{"Metabolite":"Arginine","MKRM1":"16526.0672","MKRM2":"36780.1372","MKRM3":"117441.8293","MKRP1":"18464.1609","MKRP2":"59361.2091","MKRP3":"100406.7545","MKRP4":"184444.3836","WTM1":"79172.5945","WTM2":"210431.1225","WTM3":"60479.2563","WTM4":"85965.0194","WTP1":"55963.1303","WTP2":"65849.7198","WTP3":"117624.5897","WTP4":"180061.0263"},{"Metabolite":"Asparagine","MKRM1":"124265.5274","MKRM2":"195281.1781","MKRM3":"334678.9761","MKRP1":"98220.8416","MKRP2":"258689.6295","MKRP3":"312588.0900","MKRP4":"617753.0184","WTM1":"248828.8247","WTM2":"477595.5824","WTM3":"240520.4978","WTM4":"295085.8652","WTP1":"267684.2859","WTP2":"264859.9879","WTP3":"334952.7460","WTP4":"780557.0680"},{"Metabolite":"Aspartate","MKRM1":"837717.0800","MKRM2":"1053127.3900","MKRM3":"1376212.1173","MKRP1":"660330.5733","MKRP2":"1534332.0727","MKRP3":"1930536.2297","MKRP4":"3638394.1780","WTM1":"1274391.9073","WTM2":"2533466.1340","WTM3":"1387906.9177","WTM4":"2239687.0393","WTP1":"1781901.3353","WTP2":"2117840.6167","WTP3":"1380129.8137","WTP4":"3901433.0010"},{"Metabolite":"Aspartic 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