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standards.py
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class Compound:
def __init__(self, poolset, typeset):
self.pool = poolset
self.type = typeset
iStandards = {
'Alanine': 4.9973323200599,
'Arginine': 4.9973323200599,
'Asparagine': 4.9973323200599,
'Aspartate': 4.9973323200599,
'Carnitine': 4.9973323200599,
'Citrulline': 4.9973323200599,
'Cystine': 4.9973323200599,
'Glutamate': 4.9973323200599,
'Glutamine': 4.9973323200599,
'Glycine': 4.9973323200599,
'Histidine': 4.9973323200599,
'Hydroxyproline': 4.9973323200599,
'Isoleucine': 4.9973323200599,
'Leucine': 4.9973323200599,
'Lysine': 4.9973323200599,
'Methionine': 4.9973323200599,
'Ornithine': 4.9973323200599,
'Phenylalanine': 4.9973323200599,
'Proline': 4.9973323200599,
'Serine': 4.9973323200599,
'Taurine': 4.9973323200599,
'Threonine': 4.9973323200599,
'Tryptophan': 4.9973323200599,
'Tyrosine': 4.9973323200599,
'Valine': 4.9973323200599,
'Lactate': 4.9973323200599,
'Glucose': 4.9973323200599,
'2-hydroxybutyric-acid': 5.03371238789826,
'2-hydroxybutyrate': 5.03371238789826,
'2-hb': 5.03371238789826,
'2-HB': 5.03371238789826,
'2-aminobutyric-acid': 4.89745241834741,
'2-aminobutyrate': 4.89745241834741,
'AMP': 5.11475870671235,
'Argininosuccinate': 5.4982796774196,
'Betaine': 5.20181643450854,
'Biotin': 5.0009674869335,
'Carnosine': 5.20583900447515,
'Choline': 5.26063705657136,
'CMP': 4.99977889657934,
'Creatine': 5.73630755282233,
'Cytidine': 5.01095359923515,
'dTMP': 5.14194908918635,
'Fructose': 5.63733670609336,
'Glucose-1-phosphate': 2.37819470020133,
'Glutathione': 4.83430741321902,
'GMP': 4.79076702775531,
'IMP': 4.9547551940203,
'O-phosphoethanolamine': 6.77246148542287,
'Pyridoxal': 5.68687607201649,
'Thiamine': 5.39395319822864,
'trans-Urocanate': 4.74708085511279,
'Trans-Urocanate': 4.74708085511279,
'trans-urocanate': 4.74708085511279,
'UMP': 5.02485964323421,
'Xanthine': 4.69547267577355,
'gsh': 4.834307413,
'3-hydroxybutyric-acid': 6.56063790844972,
'3-hydroxybutyrate': 6.56063790844972,
'3-hb': 6.56063790844972,
'3-HB': 6.56063790844972,
'Acetylalanine': 6.48239580378873,
'Acetylaspartate': 6.5016100832747,
'Acetylcarnitine': 6.32225449097143,
'Acetylglutamine': 6.217089090769,
'ADP': 6.08133629016981,
'Allantoin': 5.7690563204682,
'CDP': 6.22859708578781,
'CDP-choline': 6.21968459917267,
'Coenzyme-A': 0.266189623415126,
# 'Coenzyme A': 0.266189623415126,
'CoA': 0.266189623415126,
'Coa': 0.266189623415126,
'Creatinine': 6.08392474902252,
'gamma-aminobutyric-acid': 6.28916773673274,
'gamma-aminobutyrate': 6.28916773673274,
'GDP': 1.86226634424516,
'Glutathione-disulfide': 6.16402250105486,
'Glycerate': 6.12355335674695,
'Hypoxanthine': 6.06841626513394,
'Myo-Inositol': 6.00659351922984,
'myo-inositol': 6.00659351922984,
'NAD+': 6.28488430272438,
'NAD': 6.28488430272438,
'p-aminobenzoate': 5.96832154504145,
'p-Aminobenzoate': 5.96832154504145,
'P-aminobenzoate': 5.96832154504145,
'p-Aminobenzoate': 5.96832154504145,
'PABA': 5.96832154504145,
'Phosphocholine': 6.65384896797157,
'Sorbitol': 5.8580049819876,
'UDP': 3.11617564423192,
'UDP-glucose': 4.30509468476358,
'UDP-Glucose': 4.30509468476358,
'Phenylacetylglutamine': 6.81937018127754,
'Acetylglutamate': 6.27209601415435,
'Acetylglycine': 6.02705430204503,
'Acetylmethionine': 5.22107355914313,
'Asymmetric dimethylarginine': 5.55851202965197,
'ATP': 5.17765379787911,
'CTP': 4.37907508244845,
'dATP': 2.93064582646428,
'dCTP': 1.92012974473456,
'Deoxycytidine': 5.91817773787924,
'Folic acid': 4.45022751515758,
'Folate': 4.45022751515758,
'GTP': 0.664577069553957,
'Hypotaurine': 5.14586792835667,
'Methionine sulfoxide': 4.15514585262757,
'Methylthioadenosine': 5.00481166218895,
'Phosphocreatine': 4.74455307053837,
'Pyridoxine': 6.01891256794748,
'Ribose-5-phosphate': 5.91520712752139,
'SAH': 4.42772913509151,
'Thymidine': 4.66196277763184,
'Trimethyllysine': 4.35056308333532,
'Uridine': 4.77641590500994,
'UTP': 5.68472798702442,
'3-phosphoglycerate': 5.57472131952464,
'3-PG': 5.57472131952464,
'Cis-aconitic-acid': 5.80174278010217,
'Cis-aconitate': 5.80174278010217,
'Citrate': 5.90141906570882,
'DHAP': 5.56560284692072,
'Fructose-1,6-bisphosphate': 5.48174545090222,
'Fructose-1, 6-bisphosphate': 5.48174545090222,
'Fructose-1-6-bisphosphate': 5.48174545090222,
'Fumarate': 5.62061665044703,
'Glucose-6-phosphate': 5.57511554222458,
'Glycerol-3-phosphate': 5.33721255279593,
'Guanidinoacetate': 5.81897514318511,
'Kynurenine': 5.50671969712946,
'Malate': 5.76598967178601,
'NADP+': 5.33123052322962,
'NADP': 5.33123052322962,
'Niacinamide': 5.77526137101027,
'2-oxoglutarate': 5.47020082348949,
'A-Ketoglutaric-acid': 5.47020082348949,
'A-Ketoglutarate': 5.47020082348949,
'Akg': 5.47020082348949,
'Phosphoenolpyruvate': 5.92250730443154,
'Pyruvate': 4.87450282209293,
'Succinate': 5.48602815869483,
'Uracil ': 5.66239136209295,
'3-hydroxyisobutyric-acid': 6.52080737407328,
'3-hydroxyisobutyrate': 6.52080737407328,
'2-hydroxyglutarate': 6.57580113121367,
'Aminoadipate': 6.26147455331714,
'beta-alanine': 6.33421352719945,
'Carbamoylaspartate': 6.64163904460056,
'Cystathionine': 6.47370481431716,
'Cysteic-acid': 5.7663654922986,
'FAD': 2.80689234345067,
'Glycerophosphocholine': 6.68363051131634,
'Inosine': 6.2839127524751,
'Orotate': 6.37030853556671,
'Orotic-acid': 6.37030853556671,
'Pantothenate': 6.16428231735162,
'Pantothenic-acid': 6.16428231735162,
'Phosphoserine': 6.72461683781487,
'Riboflavin': 6.48423388378493,
'UDP-GlcNAc': 1.56075172997463,
'Uric acid': 3.40670961125,
'Uric-acid': 3.40670961125,
'Urate': 3.40670961125,
'Itaconic-acid': 5.08007558404486,
'Itaconate': 5.08007558404486,
'Homocysteine': 4.99275824856602,
'2-oxobutyric-acid': 5.1615509544801,
'Ascorbate': 4.83667504704076,
'Ascorbic-Acid': 4.83667504704076,
'Sarcosine': 5.48508277939468,
'Dimethylglycine': 5.61728319933955,
'N6-acetyllysine': 4.88067735117641,
'Pipecolate': 5.1960231698648,
'Indolelactate': 5.14808132889391,
'Picolinate': 5.35809714062023,
'3-methyl-2-oxobutyrate': 5.38627158334742,
'3-methyl-2-oxopentanoic-acid': 4.94017517805416,
'Formyl-methionine': 4.50686938856642,
'Homocitrulline': 5.01697828201313,
'Gamma-glutamyl-alanine': 4.76536675422449,
'Mannose': 5.39647251340844,
'Cysteine-glycine (dipeptide)': 4.91140125298772,
'Cysteine-glycine': 4.91140125298772,
'cys-gly': 4.91140125298772,
# other:
'Gaba': 6.289167737,
'gssg': 6.164022501,
'sah': 4.427729135,
'S-adenosyl-l-homocysteine': 4.427729135,
'Methionine-sulfoxide': 4.155145853,
'Oxoglutarate': 5.47020082348949,
'2HG': 6.575801131,
'3-methyl-2-oxopentanoic-acid-ketoisoleucine': 4.940175178,
'3-methyl-2-oxobutyrate-keto-isovaleric-acid': 5.386271583,
'Pyroglutamate-5-oxoproline': 5.237401941,
'gly-gly': 4.364989878,
'Trans-urocanate': 4.747080855,
'a-aminobutyrate': 4.897452418,
'Asymmetric-dimethylarginine': 5.55851203,
'Kynurinenine': 1865.211047903980,
'Uracil': 152.149153954228,
'AKB': 3.19503110738,
'AHB': 146.69290684797,
'asymmetric-dimethylarginin_1': 5.55851202965197,
'asymmetric-dimethylarginin_2': 5.55851202965197,
'3-methyl-2-oxopentanoic-ac_1': 4.94017517805416,
'3-methyl-2-oxopentanoic-ac_2': 4.94017517805416,
'3-methyl-2-oxopentanoic-acid': 4.94017517805416,
'3-methyl-2-oxobutyrate-ket_3': 5.38627158334742,
'3-methyl-2-oxobutyrate-ket_4': 5.38627158334742,
'3-methyl-2-oxobutyrate-keto': 5.38627158334742,
'3-methyl-2-oxobutyrate-ket_5': 5.38627158334742,
'3-methyl-2-oxopentanoic-ac_1': 4.94017517805416,
'3-methyl-2-oxopentanoic-ac_2': 4.94017517805416,
'3-methyl-2-oxobutyrate-ket_3': 5.38627158334742,
'3-methyl-2-oxobutyrate-ket_4': 5.38627158334742,
'3-methyl-2-oxobutyrate-ket_5': 5.38627158334742,
}