Comparison of predicted and experimental concentrations for some E. coli metabolites.

aAbbreviations: 13DPG, 1,3-diphosphoglycerate; 2PG, 2-phospho-D-glycerate; 3PG, 3-phospho-D-glycerate; 3PHP, 3-phospho-hydroxypyruvate; DHAP, dihydroxyacetone phosphate; F6P, D-fructose-6-phosphate; G1P, D-glucose-1-phosphate; G6P, D-glucose-6-phosphate; G3P, D-glyceraldehyde-3-phosphate; R5P, D-ribose-5-phosphate; RU5P, ribulose-5-phosphate; X5P, xylulose 5-phosphate.bNegative logarithm (-Log) of E. coli metabolite concentrations (mol/L) predicted by SVR model.cNegative logarithm (-Log) of E. coli metabolite concentrations (mol/L) predicted by NET method [16].dNegative logarithm (-Log) of E. coli metabolite concentrations (mol/L) determined by prior experiments [16].eNot available, because the metabolite is not involved in the metabolic network of E. coli.fMean of concentrations for α- and β-G1P.gMean of concentrations for α- and β-G6P.hMean of concentrations for D- and L-RU5P.iMean of concentrations for D- and L-X5P.jNot determined.a. 缩写说明：13DPG（1,3-diphosphoglycerate）即1,3-二磷酸甘油酸；2PG（2-phospho-D-glycerate）即2-磷酸-D-甘油酸；3PG（3-phospho-D-glycerate）即3-磷酸-D-甘油酸；3PHP（3-phospho-hydroxypyruvate）即3-磷酸羟基丙酮酸；DHAP（dihydroxyacetone phosphate）即磷酸二羟丙酮；F6P（D-fructose-6-phosphate）即D-果糖-6-磷酸；G1P（D-glucose-1-phosphate）即D-葡萄糖-1-磷酸；G6P（D-glucose-6-phosphate）即D-葡萄糖-6-磷酸；G3P（D-glyceraldehyde-3-phosphate）即D-甘油醛-3-磷酸；R5P（D-ribose-5-phosphate）即D-核糖-5-磷酸；RU5P（ribulose-5-phosphate）即核酮糖-5-磷酸；X5P（xylulose 5-phosphate）即木酮糖-5-磷酸。b. 支持向量回归（Support Vector Regression, SVR）模型预测的大肠杆菌（E. coli）代谢物浓度（单位：mol/L）的负对数值（-Log）。c. NET方法[16]预测的大肠杆菌代谢物浓度（单位：mol/L）的负对数值（-Log）。d. 已有实验[16]测定的大肠杆菌代谢物浓度（单位：mol/L）的负对数值（-Log）。e. 无有效数据，因该代谢物未参与大肠杆菌的代谢网络。f. α型与β型G1P的浓度平均值。g. α型与β型G6P的浓度平均值。h. D型与L型RU5P的浓度平均值。i. D型与L型X5P的浓度平均值。j. 未测定。