metabolite_name 11801 LDC 25-HR BR1 IS IDA-1 11801 LDC 25-HR BR1 IS IDA-2 11801 LDC 25-HR BR1 IS IDA-3 11801 LDC 25-HR BR2 IS IDA-1 11801 LDC 25-HR BR2 IS IDA-2 11801 LDC 25-HR BR2 IS IDA-3 11801 LDC 25-HR BR3 IS IDA-1 11801 LDC 25-HR BR3 IS IDA-2 11801 LDC 25-HR BR3 IS IDA-3 11801 LDC 31-HR BR1 IS IDA-1 11801 LDC 31-HR BR1 IS IDA-2 11801 LDC 31-HR BR1 IS IDA-3 11801 LDC 31-HR BR2 IS IDA-1 11801 LDC 31-HR BR2 IS IDA-2 11801 LDC 31-HR BR2 IS IDA-3 11801 LDC 31-HR BR3 IS IDA-1 11801 LDC 31-HR BR3 IS IDA-2 11801 LDC 31-HR BR3 IS IDA-3 11801 LDC 37-HR BR1 IS IDA-1 11801 LDC 37-HR BR1 IS IDA-2 11801 LDC 37-HR BR1 IS IDA-3 11801 LDC 37-HR BR2 IS IDA-1 11801 LDC 37-HR BR2 IS IDA-2 11801 LDC 37-HR BR2 IS IDA-3 11801 LDC 37-HR BR3 IS IDA-1 11801 LDC 37-HR BR3 IS IDA-2 11801 LDC 37-HR BR3 IS IDA-3 11801 LDC 43-HR BR1 IS IDA-1 11801 LDC 43-HR BR1 IS IDA-2 11801 LDC 43-HR BR1 IS IDA-3 11801 LDC 43-HR BR2 IS IDA-1 11801 LDC 43-HR BR2 IS IDA-2 11801 LDC 43-HR BR2 IS IDA-3 11801 LDC 43-HR BR3 IS IDA-1 11801 LDC 43-HR BR3 IS IDA-2 11801 LDC 43-HR BR3 IS IDA-3 11801 600uE CLDC BR1 IS IDA-1 11801 600uE CLDC BR1 IS IDA-2 11801 600uE CLDC BR1 IS IDA-3 11801 600uE CLDC BR2 IS IDA-1 11801 600uE CLDC BR2 IS IDA-2 11801 600uE CLDC BR2 IS IDA-3 11801 600uE CLDC BR3 IS IDA-1 11801 600uE CLDC BR3 IS IDA-2 11801 600uE CLDC BR3 IS IDA-3 3-phosphoglycerate 0.53 0.51 0.53 0.38 0.38 0.38 0.36 0.38 0.37 0.94 0.93 0.93 1.08 1.10 1.10 0.87 0.87 0.90 0.28 0.29 0.29 0.26 0.27 0.26 0.23 0.23 0.23 0.30 0.33 0.33 0.29 0.30 0.29 0.31 0.32 0.32 1.33 1.33 1.31 1.23 1.24 1.27 1.10 1.15 1.11 6-phosphogluconate 0.21 0.23 0.25 0.15 0.17 0.16 0.13 0.13 0.12 0.66 0.72 0.73 0.42 0.43 0.40 0.65 0.75 0.74 0.18 0.21 0.19 0.10 0.11 0.11 0.21 0.23 0.22 0.06 0.06 0.07 0.08 0.07 0.13 0.07 0.08 0.08 0.54 0.52 0.57 0.82 0.82 0.86 0.90 0.89 0.99 Acetyl Coenzyme A 19.60 17.62 19.46 13.88 13.80 15.60 9.93 7.05 11.90 13.80 12.20 15.29 11.28 19.30 17.74 15.05 12.87 15.31 17.03 14.38 19.96 9.49 17.07 11.58 7.61 25.05 14.06 12.21 10.19 13.66 6.95 10.26 9.31 11.43 11.67 7.54 15.72 12.11 12.71 10.06 10.70 11.31 10.39 7.78 9.18 Adenosine diphosphate 2.31 2.36 2.30 1.50 1.55 1.53 1.98 1.77 1.73 1.60 1.58 1.65 2.01 1.95 1.96 1.74 1.71 1.70 0.75 0.81 0.82 1.40 0.99 0.97 1.18 1.20 1.21 1.31 1.36 1.36 1.41 1.40 1.42 1.84 1.88 1.88 1.41 1.42 1.39 1.53 1.51 1.52 1.65 1.62 1.61 Adenosine monophosphate 3.99 3.59 3.94 2.73 2.79 2.81 3.13 3.47 3.24 2.00 2.03 1.96 2.20 2.22 2.22 1.94 1.87 1.78 0.57 0.70 0.56 0.63 0.65 0.68 0.86 0.98 0.93 1.85 2.00 1.81 2.20 2.25 2.21 1.36 1.45 1.40 2.36 2.50 2.68 2.69 2.43 2.59 3.14 3.33 3.39 Adenosine triphosphate 2.58 2.59 2.52 1.65 1.68 1.71 1.79 1.92 1.86 1.59 1.64 1.69 2.03 2.02 2.06 1.75 1.73 1.76 0.90 0.87 0.86 1.09 1.06 1.03 1.27 1.22 1.28 1.37 1.41 1.38 1.40 1.45 1.40 1.95 1.90 1.95 1.47 1.46 1.51 1.61 1.65 1.57 1.74 1.65 1.64 ADP ribose 1,2 cyclic phosphate 29.47 46.25 30.73 47.11 34.50 35.19 27.28 37.01 37.86 7.36 5.54 7.35 9.06 7.04 8.68 7.37 6.23 6.62 7.53 10.39 8.09 9.50 10.01 9.60 9.04 11.38 13.34 8.94 8.30 8.76 8.70 9.17 7.12 9.82 11.10 11.49 7.92 5.22 7.21 6.19 6.95 7.94 6.28 5.32 6.13 ADP-glucose 27.87 30.54 42.89 15.57 19.13 20.62 23.08 23.88 46.26 6.93 4.75 7.67 8.22 8.22 6.74 4.26 4.56 5.31 7.36 6.81 6.32 6.60 10.63 6.83 5.41 6.82 9.60 5.34 6.78 7.40 6.56 5.81 4.88 6.48 7.22 6.13 8.62 7.74 8.60 0.09 12.32 10.36 11.81 11.58 12.59 Alanine 1.12 0.70 0.78 1.84 1.86 1.06 0.11 0.19 0.31 3.52 3.32 2.22 2.40 1.83 1.35 0.68 0.65 0.82 0.77 0.62 0.72 0.59 0.42 0.67 0.77 1.06 0.88 2.35 1.27 1.37 1.27 1.21 0.70 1.35 0.61 0.86 3.02 4.21 2.53 1.14 1.29 1.31 2.58 2.77 3.51 Aspartate 0.66 0.65 0.67 0.44 0.64 0.67 0.37 0.62 0.54 0.96 1.16 1.16 1.19 1.18 1.26 0.78 0.97 0.91 0.38 0.59 0.58 0.44 0.64 0.67 0.41 0.63 0.65 0.52 0.79 0.72 0.26 0.41 0.44 0.27 0.45 0.50 0.95 1.19 1.13 0.80 1.10 1.03 0.70 0.92 0.87 Cytidine monophosphate N-acetylneuraminic acid 2.97 2.98 3.20 2.99 3.00 3.01 2.76 3.15 3.15 2.93 3.16 3.26 3.17 3.24 3.25 3.43 3.25 3.43 2.32 2.74 2.63 1.84 2.82 2.68 2.60 2.57 2.63 2.34 2.24 2.76 2.68 2.73 2.88 2.40 2.56 2.55 2.69 2.84 2.75 2.76 2.85 2.73 2.91 2.93 2.95 Cytidine diphosphate 0.88 1.08 0.88 0.56 0.58 0.62 0.71 0.64 0.65 0.66 0.51 0.50 0.79 0.56 0.57 0.53 0.54 0.75 0.49 0.47 0.49 0.62 0.53 0.56 0.76 0.81 0.76 0.93 0.88 0.81 0.94 0.83 0.94 1.11 1.20 1.15 0.47 0.46 0.50 0.69 0.49 0.49 0.59 0.56 0.42 Cytidine monophosphate 1.87 2.56 2.26 1.46 1.39 1.25 1.47 1.72 1.72 1.81 1.98 1.85 2.10 2.05 2.08 1.42 1.66 1.73 0.58 0.79 0.63 0.62 0.50 0.64 0.76 0.76 0.82 2.03 1.95 1.96 2.32 1.94 1.96 1.03 1.15 1.12 5.98 5.35 5.71 5.20 4.94 5.52 6.93 5.98 6.34 deoxy-TDP-rhamnose 27.24 30.72 32.88 20.57 26.45 29.79 24.86 33.86 27.72 7.75 4.88 6.34 7.04 8.48 7.20 6.95 5.84 6.60 5.81 7.05 4.94 8.45 9.56 6.65 6.03 9.00 9.51 3.68 4.44 4.68 3.92 3.86 3.32 3.77 4.53 3.77 6.14 7.62 7.52 6.81 6.76 6.81 5.89 6.38 6.32 deoxy-thymidine monophosphate 0.74 0.80 0.75 0.62 0.57 0.66 0.48 0.47 0.46 2.56 2.15 2.54 2.66 2.71 2.54 1.51 1.47 2.14 0.97 0.90 1.03 1.92 1.17 1.07 1.29 1.26 1.15 1.27 1.02 1.25 1.27 1.52 1.36 1.03 0.98 1.20 1.90 2.11 2.03 1.97 1.74 2.11 2.10 2.05 1.65 Fructose-1,6 bisphosphate 0.40 0.60 0.41 0.34 0.40 0.40 0.42 0.39 0.42 2.52 2.29 2.25 4.08 3.73 3.43 1.78 1.79 1.77 0.32 0.34 0.36 0.40 0.39 0.49 0.49 0.50 0.67 0.29 0.25 0.19 0.23 0.28 0.27 0.27 0.31 0.33 11.72 10.90 11.78 5.00 5.02 4.30 7.48 7.45 7.66 Fructose-6-phosphate 0.35 0.32 0.21 0.26 0.23 0.21 0.21 0.22 0.17 1.42 1.63 1.22 1.82 1.65 2.01 1.22 1.51 1.37 0.68 0.63 0.65 1.38 0.85 0.88 0.82 0.77 0.77 0.06 0.13 0.23 0.14 0.26 0.06 0.42 0.19 0.37 0.77 0.77 0.76 1.28 1.28 1.21 1.54 1.38 1.45 Gamma-aminobutyric acid 0.27 0.44 0.20 0.25 0.25 0.28 0.17 0.24 0.24 0.44 0.53 0.47 0.49 0.42 0.52 0.46 0.50 0.44 0.34 0.34 0.33 0.44 0.44 0.43 0.46 0.49 0.46 0.54 0.52 0.50 0.53 0.48 0.49 0.48 0.45 0.47 0.58 0.57 0.57 0.68 0.64 0.67 0.66 0.67 0.67 Gamma-glutamyl-Alanine 2.76 6.28 3.20 8.15 2.21 2.11 4.61 2.04 4.90 1.60 1.94 0.21 0.94 0.60 0.18 0.32 1.27 2.98 0.62 0.52 0.07 0.59 0.56 0.64 0.75 0.84 0.68 2.44 3.65 2.99 5.41 2.83 3.02 3.45 3.05 2.94 1.68 1.23 1.80 1.75 1.55 1.51 1.46 1.82 2.05 Gamma-glutamyl-Glutamate 10.13 8.60 10.03 6.12 6.68 6.12 7.76 7.48 7.05 4.11 4.04 4.28 4.00 4.05 4.07 3.02 3.22 2.85 1.84 1.86 1.86 1.94 2.41 2.44 1.51 1.50 1.50 7.45 7.73 7.09 5.67 5.27 5.10 5.25 5.37 5.69 1.09 1.00 1.04 1.14 1.18 1.10 1.60 1.28 1.46 Gamma-glutamyl-Isoleucine 7.86 7.65 7.45 6.03 6.02 6.35 6.03 6.09 5.92 0.83 0.78 0.76 0.64 0.69 0.66 0.67 0.68 0.65 2.17 2.15 1.99 1.56 1.64 1.58 3.03 3.10 3.06 5.48 5.51 5.30 5.63 6.04 5.73 6.20 5.77 5.94 1.11 1.08 0.95 0.99 1.01 0.93 0.55 0.62 0.56 Gamma-glutamyl-Leucine 6.53 7.07 6.01 5.57 5.38 5.61 6.22 6.58 6.36 1.06 0.99 1.05 0.92 0.94 0.87 0.94 0.96 0.99 0.94 0.87 0.91 0.84 0.78 0.79 0.68 0.59 0.63 1.54 1.71 1.76 1.38 1.54 1.51 1.90 1.91 1.86 0.69 0.68 0.67 0.77 0.78 0.72 0.87 0.89 0.91 Gamma-glutamyl-Methionine 10.19 12.46 11.05 8.04 8.27 9.02 8.60 7.69 7.11 1.17 1.26 1.28 1.57 1.46 1.67 1.60 1.73 1.79 4.21 4.16 3.90 3.62 3.39 3.81 4.28 4.70 4.56 8.13 7.92 8.24 9.34 8.87 8.42 8.40 9.44 8.74 1.88 2.02 1.89 2.05 1.80 2.16 1.83 1.57 1.69 Gamma-glutamyl-Phenylalanine 24.07 25.03 25.27 21.44 20.65 25.43 24.08 24.80 28.09 1.89 0.04 1.74 1.91 1.67 1.95 1.80 1.55 1.73 3.48 3.71 3.66 3.72 4.25 3.70 4.73 4.61 4.23 6.96 7.10 7.05 7.50 7.81 7.94 7.89 7.70 7.72 1.56 1.61 1.88 2.27 2.30 2.07 1.85 1.97 2.08 Gamma-glutamyl-Tryptophan 46.84 44.12 50.23 34.46 27.31 34.30 37.67 45.44 48.35 0.36 0.38 0.46 0.42 0.45 0.51 0.47 0.43 0.47 1.35 1.50 1.29 1.09 1.77 1.62 2.15 1.92 2.18 9.81 9.42 9.92 13.06 12.74 11.91 12.39 12.43 12.63 0.41 0.37 0.34 0.70 0.56 0.54 0.42 0.42 0.48 Gamma-glutamyl-Tyrosine 1.50 1.72 1.63 1.65 1.65 1.28 1.75 1.85 2.07 0.15 0.10 0.06 0.08 0.08 0.04 0.15 0.12 0.14 0.40 0.35 0.39 0.46 0.40 0.43 0.45 0.43 0.47 1.50 1.71 1.82 0.80 0.86 0.81 2.13 2.04 2.16 0.09 0.09 0.07 0.11 0.10 0.09 0.06 0.06 0.08 Gamma-glutamyl-Valine 4.92 4.30 4.60 3.86 3.68 3.84 4.01 4.01 4.01 1.00 1.07 1.14 0.98 1.03 1.06 1.05 0.96 0.97 0.95 0.93 0.92 1.04 1.01 1.04 1.32 1.30 1.36 2.00 2.21 2.13 2.22 2.09 1.98 2.06 1.93 1.99 1.29 1.21 1.22 1.21 1.24 1.23 0.98 1.06 1.05 GDP-fucose 21.37 27.26 33.85 11.66 13.61 18.07 16.00 16.39 34.32 5.76 4.05 6.15 6.59 6.78 5.66 4.33 4.83 5.11 6.85 6.45 5.27 6.59 9.49 6.69 5.89 6.84 11.30 4.04 5.96 5.35 4.05 4.07 3.30 5.03 5.44 4.47 6.59 6.60 6.82 6.09 6.38 5.56 5.89 5.67 11.76 GDP-mannose 10.07 11.81 8.23 6.92 11.75 6.67 6.25 9.98 9.01 4.05 2.05 2.99 3.42 3.59 3.97 3.08 2.05 2.09 5.78 5.07 3.94 3.91 4.87 5.62 4.96 4.13 5.61 2.39 3.30 2.64 2.53 3.39 2.67 3.12 2.48 3.03 4.05 3.12 4.30 3.67 3.22 3.50 4.63 4.00 4.57 Glucose-6-phosphate 0.24 0.21 0.21 0.18 0.18 0.20 0.20 0.25 0.19 1.31 1.21 1.37 1.71 1.71 1.64 1.24 1.28 1.22 0.58 0.60 0.57 0.78 0.74 0.78 0.71 0.68 0.69 0.07 0.16 0.06 0.16 0.13 0.19 0.13 0.22 0.15 0.59 0.58 0.56 0.83 0.82 0.85 1.15 1.15 1.15 Glutamate 0.36 0.36 0.35 0.30 0.31 0.31 0.26 0.25 0.24 0.64 0.63 0.59 0.65 0.59 0.61 0.63 0.62 0.63 0.45 0.45 0.46 0.56 0.56 0.58 0.62 0.63 0.62 0.69 0.67 0.67 0.68 0.68 0.66 0.63 0.62 0.59 0.80 0.84 0.81 0.90 0.92 0.90 0.91 0.92 0.91 Glutamine 0.86 1.13 0.97 0.95 1.27 0.99 0.90 1.20 1.57 2.20 1.06 1.80 0.80 1.08 1.39 3.00 2.09 1.46 2.12 2.16 2.14 2.29 1.85 1.91 1.71 1.73 1.73 0.87 0.87 0.81 1.03 0.99 0.85 0.74 1.01 0.84 5.13 4.50 4.61 0.82 0.66 0.72 0.94 0.97 0.96 Glycerol-3-phosphate 0.75 1.60 1.16 1.97 1.32 0.69 0.67 1.39 1.68 2.39 2.29 1.41 1.71 1.39 2.09 1.85 2.06 1.13 2.01 1.26 1.64 1.45 1.61 1.12 1.16 1.43 1.31 1.57 1.44 1.24 1.63 1.24 1.62 1.34 1.39 1.41 1.84 2.33 2.34 2.20 1.88 2.11 4.43 4.50 3.95 Guanosine triphosphate 1.51 1.48 1.72 1.00 0.95 1.06 1.15 1.16 1.16 1.30 1.45 1.43 1.85 1.72 1.89 1.56 1.62 1.57 0.47 0.47 0.47 0.66 0.63 0.66 0.66 0.76 0.84 0.76 0.80 0.87 0.93 0.86 0.85 1.11 1.28 1.25 1.15 1.12 1.14 1.04 1.17 1.15 1.08 1.04 1.15 Guanosine diphosphate 1.39 1.45 1.30 0.85 0.94 0.69 0.93 1.12 1.10 1.39 1.44 1.34 1.80 1.75 1.77 1.54 1.46 1.46 0.48 0.46 0.44 0.39 0.55 0.56 0.78 0.77 0.78 0.86 0.70 0.88 0.97 0.99 0.87 1.25 1.28 1.05 1.18 1.16 1.11 1.09 1.09 1.07 1.05 1.13 1.00 Guanosine monophosphate 2.12 2.84 2.26 1.59 1.78 1.31 1.91 1.76 2.10 1.38 1.83 2.42 1.69 1.81 2.32 2.66 1.37 1.57 0.57 0.68 0.83 0.39 0.38 0.73 0.73 1.10 0.94 2.20 1.57 1.68 1.99 1.64 1.73 0.85 0.81 1.08 6.88 5.84 6.31 6.60 5.56 6.30 7.48 7.29 8.59 Inosine monophosphate 0.41 0.40 0.47 0.52 0.56 0.58 0.61 0.46 0.36 1.59 1.48 1.77 2.14 2.21 2.39 1.71 2.29 1.85 0.13 0.16 0.09 0.19 0.30 0.10 0.13 0.17 0.16 0.46 0.31 0.39 0.41 0.52 0.47 0.44 0.31 0.38 2.71 3.14 2.55 3.15 2.93 2.47 2.12 2.57 1.93 N-acetylglutamate 0.73 0.76 0.74 0.60 0.59 0.61 0.52 0.46 0.49 2.09 2.17 1.96 2.31 2.07 2.06 1.95 1.97 1.88 0.48 0.50 0.46 0.73 0.70 0.69 0.64 0.61 0.69 0.50 0.47 0.45 0.35 0.38 0.28 0.48 0.46 0.44 1.36 1.47 1.36 1.40 1.52 1.45 1.40 1.40 1.48 N-acetylglucosamine-6-phosphate 0.20 0.07 0.15 0.11 0.12 0.18 0.10 0.19 0.37 1.15 1.14 0.87 1.33 1.27 1.44 1.04 1.19 1.63 0.35 0.22 0.32 0.24 0.29 0.32 0.47 0.36 0.28 0.22 0.22 0.21 0.15 0.30 0.31 0.30 0.23 0.29 0.70 0.58 0.56 0.57 0.67 0.76 0.76 0.78 0.73 Nicotinamide adenine dinucleotide (NAD+) 7.11 7.73 8.26 6.14 7.30 6.87 5.69 8.55 6.70 3.54 2.51 3.07 3.27 3.25 3.48 3.50 2.69 2.70 2.93 2.60 2.51 3.07 3.12 2.76 3.02 2.87 3.27 2.70 2.97 2.63 2.55 3.11 2.63 2.93 2.76 2.76 2.16 2.07 2.44 2.27 2.30 2.20 2.00 2.01 2.01 Nicotinamide adenine dinucleotide phosphate (NADP+) 58.23 57.64 64.68 34.58 38.84 37.67 31.96 63.92 48.18 8.79 5.80 8.05 12.08 7.19 8.76 7.31 6.65 6.91 11.19 14.16 11.43 12.91 16.01 10.07 13.72 13.57 19.10 8.34 12.74 12.86 10.24 16.96 8.37 10.85 13.65 15.48 7.57 7.89 8.16 9.95 8.69 8.11 8.04 7.27 6.81 Oxidized glutathione 319.10 316.10 337.10 292.00 272.70 296.20 269.50 375.70 340.30 103.10 40.62 89.61 109.60 96.01 119.10 140.50 89.79 85.59 125.40 122.40 155.00 180.80 213.40 177.70 151.60 139.20 184.20 89.06 86.45 90.37 104.00 103.80 75.94 72.36 85.90 85.65 104.10 98.07 160.70 132.30 124.10 107.00 162.50 150.50 133.00 Phosphoenolpyruvate 0.62 0.69 0.68 0.55 0.56 0.58 0.53 0.45 0.47 1.19 1.26 1.17 1.11 1.09 1.13 1.26 1.34 1.20 0.29 0.31 0.24 0.15 0.12 0.12 0.14 0.12 0.15 0.40 0.38 0.36 0.31 0.35 0.35 0.33 0.34 0.33 1.16 1.15 1.11 1.22 1.25 1.30 0.70 0.72 0.74 Pyroglutamic acid 0.36 0.45 0.37 0.34 0.35 0.37 0.27 0.29 0.25 0.60 0.62 0.57 0.70 0.67 0.66 0.71 0.62 0.87 0.47 0.49 0.44 0.61 0.57 0.59 0.68 0.62 0.63 0.66 0.68 0.66 0.69 0.71 0.68 0.69 0.64 0.61 0.84 0.81 0.77 1.01 0.88 0.94 0.99 0.86 0.90 Ribulose 1,5 bisphosphate 0.19 0.18 0.18 0.11 0.11 0.09 0.14 0.13 0.13 1.86 1.96 2.04 3.12 3.09 2.96 2.07 2.14 2.15 1.53 1.67 1.53 2.57 2.77 2.58 1.99 2.17 2.04 0.15 0.15 0.09 0.10 0.11 0.16 0.16 0.10 0.14 3.21 2.97 3.17 3.34 3.44 3.48 3.25 3.21 3.07 Sedoheptulose 1,7 bisphosphate 0.01 0.02 0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.14 0.14 0.11 0.21 0.23 0.21 0.07 0.07 0.06 0.01 0.01 0.01 0.04 0.02 0.02 0.02 0.02 0.02 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.77 0.75 0.79 0.28 0.30 0.29 0.55 0.61 0.60 Sedoheptulose-7-phosphate 0.40 0.42 0.39 0.29 0.31 0.31 0.28 0.23 0.27 1.99 1.98 1.91 2.40 2.47 2.37 2.00 2.22 2.21 1.17 1.19 1.19 1.51 1.56 1.50 1.23 1.31 1.24 0.24 0.27 0.23 0.41 0.41 0.36 0.35 0.34 0.32 0.75 0.78 0.74 1.82 1.84 1.84 2.04 1.92 2.09 Succinate 1.08 1.49 1.07 0.70 1.21 0.93 0.96 1.62 1.31 1.26 1.38 1.47 1.33 1.93 1.52 1.18 1.08 1.35 1.30 1.13 0.93 1.09 0.95 1.53 1.10 1.27 1.49 1.66 1.31 1.04 1.51 1.45 1.71 0.82 1.00 1.28 1.99 2.38 2.45 1.70 2.04 2.15 2.51 2.78 3.18 Sucrose 0.04 0.06 0.05 0.06 0.07 0.08 0.04 0.03 0.03 0.07 0.08 0.06 0.07 0.07 0.07 0.07 0.06 0.06 0.12 0.12 0.13 0.11 0.11 0.13 0.22 0.22 0.23 0.13 0.14 0.14 0.22 0.21 0.21 0.11 0.11 0.10 0.37 0.36 0.38 0.24 0.24 0.25 0.32 0.33 0.32 Sucrose-6-phosphate 0.03 0.00 0.01 0.02 0.01 0.01 0.01 0.02 0.01 0.02 0.05 0.07 0.04 0.07 0.07 0.07 0.08 0.06 0.01 0.03 0.01 0.04 0.02 0.01 0.04 0.02 0.03 0.01 0.02 0.01 0.00 0.02 0.00 0.01 0.01 0.01 0.24 0.25 0.26 0.24 0.23 0.23 0.19 0.20 0.20 UDP-glucose 11.00 10.29 11.06 7.24 9.51 9.76 6.08 10.99 6.05 4.74 2.86 3.91 4.02 4.27 4.65 4.66 3.49 3.59 4.03 3.34 3.57 4.05 4.64 4.33 4.06 4.22 5.45 2.04 2.46 1.92 2.31 3.05 2.53 2.60 2.40 2.27 2.69 2.51 3.28 2.92 2.65 2.72 2.96 2.83 3.10 UDP-glucuronate 4.83 5.39 5.14 4.91 5.08 5.56 3.27 4.65 3.79 2.67 2.16 2.54 2.99 2.48 3.14 2.53 2.42 2.61 1.62 1.81 1.47 2.98 2.19 2.52 1.48 1.75 2.02 0.59 0.64 0.64 0.70 0.67 0.60 0.70 0.76 0.93 2.79 2.63 3.35 2.39 2.60 2.70 2.86 2.45 2.42 UDP-N-acetyl-glucosamine 18.97 19.03 16.49 21.94 31.14 26.17 13.30 21.15 15.35 18.76 6.73 14.10 13.94 16.10 19.31 23.08 13.37 13.29 4.25 3.83 3.61 3.89 4.00 4.09 3.24 3.34 4.26 1.25 1.77 1.24 1.05 1.87 1.18 1.54 1.37 1.25 12.90 11.22 16.92 13.10 10.99 11.44 23.12 19.85 24.14 UDP-xylose 7.11 7.73 8.26 6.14 7.30 6.87 5.69 8.55 6.70 3.54 2.51 3.07 3.27 3.25 3.48 3.50 2.69 2.70 2.93 2.60 2.51 3.07 3.12 2.76 3.02 2.87 3.27 2.70 2.97 2.63 2.55 3.11 2.63 2.93 2.76 2.76 2.16 2.07 2.44 2.27 2.30 2.20 2.00 2.01 2.01 Uridine diphosphate 1.75 1.74 1.68 1.18 1.25 1.15 1.25 1.30 1.21 1.42 1.45 1.54 1.81 1.81 1.67 1.58 1.64 1.57 1.03 1.11 1.16 1.31 1.36 1.29 2.04 1.93 2.04 2.53 2.41 2.59 3.31 3.27 3.15 3.71 3.67 3.65 1.08 1.10 0.98 1.34 1.30 1.31 1.37 1.32 1.28 Uridine monophosphate 1.37 1.57 1.33 1.28 1.22 1.19 1.10 1.19 1.17 1.70 1.81 1.89 2.21 2.20 2.08 1.34 1.37 1.31 1.94 2.17 2.18 2.09 1.78 1.83 2.22 2.29 2.60 2.89 2.26 2.05 2.97 2.87 2.83 1.72 1.73 1.73 3.31 3.20 3.44 3.25 3.26 3.49 5.11 5.22 5.07 Uridine triphosphate 1.81 1.85 2.02 1.25 1.23 1.23 1.40 1.37 1.30 1.44 1.49 1.55 1.72 1.79 1.80 1.57 1.63 1.64 1.23 1.21 1.26 1.44 1.34 1.33 2.09 2.10 2.09 2.55 2.75 2.55 3.23 3.21 3.17 3.67 3.76 3.79 1.09 1.10 1.13 1.34 1.34 1.37 1.37 1.32 1.40 Xanthosine monophosphate 0.11 0.12 0.10 0.10 0.10 0.08 0.09 0.11 0.08 0.09 0.11 0.08 0.08 0.10 0.09 0.10 0.11 0.09 0.41 0.41 0.46 0.51 0.41 0.45 0.63 0.65 0.62 1.13 1.26 1.05 1.26 1.42 1.42 1.50 1.40 1.42 0.12 0.11 0.09 0.18 0.17 0.18 0.19 0.21 0.22 metabolite_name quantified m/z (Da) retention index (min) KEGG ID HMDB ID 3-phosphoglycerate 184.99 14.73 C00197 HMDB0000807 6-phosphogluconate 274.98 14.70 C04442 HMDB0001316 Acetyl Coenzyme A 808.13 15.65 C00024 HMDB0001206 Adenosine diphosphate 426.02 14.95 C00008 HMDB0001341 Adenosine monophosphate 346.06 13.72 C00020 HMDB0000045 Adenosine triphosphate 505.99 15.26 C00002 HMDB0000538 ADP ribose 1,2 cyclic phosphate 620.02 14.97 C19851 HMDB0011671 ADP-glucose 588.08 14.07 C00498 HMDB0006557 Alanine 88.05 1.20 C00041 HMDB0000161 Aspartate 132.03 6.00 C00049 HMDB0000191 Cytidine diphosphate 402.04 13.70 C00112 HMDB0001546 Cytidine monophosphate 322.05 11.60 C00055 HMDB0000095 Cytidine monophosphate N-acetylneuraminic acid 613.15 12.45 C00128 HMDB0001176 deoxy-TDP-rhamnose 547.08 14.06 C03319 HMDB0006354 deoxy-thymidine monophosphate 321.07 12.90 C00364 HMDB0001227 Fructose-1,6 bisphosphate 338.96 15.10 C05378 HMDB0001058 Fructose-6-phosphate 259.02 10.90 C00085 HMDB0000124 Gamma-aminobutyric acid 102.06 6.02 C00334 HMDB0000112 Gamma-glutamyl-Alanine 217.08 7.10 - HMDB0006248 Gamma-glutamyl-Glutamate 275.09 12.60 - HMDB0011737 Gamma-glutamyl-Isoleucine 259.14 12.20 - HMDB0011170 Gamma-glutamyl-Leucine 259.14 12.75 - HMDB0011171 Gamma-glutamyl-Methionine 277.09 10.80 - HMDB0034367 Gamma-glutamyl-Phenylalanine 293.07 13.80 - HMDB0000594 Gamma-glutamyl-Tryptophan 332.07 14.40 - HMDB0029160 Gamma-glutamyl-Tyrosine 309.03 10.90 - HMDB0011741 Gamma-glutamyl-Valine 245.11 10.40 - HMDB0011172 GDP-fucose 588.08 13.60 C00325 HMDB0001095 GDP-mannose 604.07 13.11 C00096 HMDB0001163 Glucose-6-phosphate 259.02 10.60 C00668 HMDB0001401 Glutamate 146.05 5.72 C00025 HMDB0000148 Glutamine 145.09 1.20 C00064 HMDB0003423 Glycerol-3-phosphate 171.01 11.48 C00093 HMDB0000126 Guanosine triphosphate 521.99 15.15 C00044 HMDB0001273 Guanosine diphosphate 442.02 14.70 C01228 HMDB0001201 Guanosine monophosphate 362.02 12.40 C00144 HMDB0001397 Inosine monophosphate 347.05 12.10 C00130 HMDB0000175 N-acetylglucosamine-6-phosphate 300.03 11.70 C00357 HMDB0002817 N-acetylglutamate 188.06 13.60 C00624 HMDB0001138 Nicotinamide adenine dinucleotide (NAD+) 663.11 10.35 C00003 HMDB0000902 Nicotinamide adenine dinucleotide phosphate (NADP+) 743.08 14.90 C00003 HMDB0000217 Oxidized glutathione 611.15 12.40 C00127 HMDB0003337 Phosphoenolpyruvate 166.98 15.04 C00074 HMDB0000263 Pyroglutamic acid 128.04 6.00 C01879 HMDB0000267 Ribulose 1,5 bisphosphate 308.98 15.22 C01182 HMDB0011688 Sedoheptulose 1,7 bisphosphate 369.01 15.18 C00447 HMDB0060274 Sedoheptulose-7-phosphate 289.03 10.90 C05382 HMDB0001068 Succinate 117.02 13.31 C00042 HMDB0000254 Sucrose 341.11 1.49 C00089 HMDB0000258 Sucrose-6-phosphate 421.08 10.49 C16688 - UDP-glucose 565.05 13.15 C00029 HMDB0000286 UDP-glucuronate 579.03 15.04 C00167 HMDB0000935 UDP-N-acetyl-glucosamine 606.08 13.07 C00043 HMDB0000290 UDP-xylose 535.04 13.09 C00190 HMDB0001018 Uridine diphosphate 403.00 14.79 C00015 HMDB0000295 Uridine monophosphate 323.03 11.90 C00105 HMDB0000288 Uridine triphosphate 482.96 15.10 C00075 HMDB0000285 Xanthosine monophosphate 363.04 14.85 C00655 HMDB0001554