METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE INPUT FILE: EXAMPLE4.TXT INTERNAL METABOLITES: 21 REACTIONS: 8 4 external H2O 2 int CO2 2 int NH3 2 int beta-alanine 1 int 3-Oxopropanoate 1 int CoA 1 int NAD(P)+ 1 int acetyl-CoA 1 int NAD(P)H 1 int RCH2NH2 1 int O2 1 int RCHO 1 int H2O2 1 int 4-Aminobutanoate 1 int 2-oxoglutarate 1 int succinate_semialdehyde 1 int L-glutamate 1 int Beta-alanyl-L-histidine 1 int L-histidine 1 int N-Carbamoyl-beta-alanine 1 int 5,6-Dihydrouracil 1 int 3-ureidopropionate 22 metabolites, 28 is the summarized frequency edges frequency of nodes 0 0 1 18 2 3 3 0 4 1 STOICHIOMETRIC MATRIX matrix dimension r21 x c8 0 0 0 -1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 -1 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 -1 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 1 0 0 0 0 0 The following line indicates reversible (0) and irreversible reactions (1) 0 0 0 1 1 1 1 1 rows and columns are sorted as declared in the inputfile NOT BALANCED INTERNAL METABOLITES 3-Oxopropanoate CoA NAD(P)+ acetyl-CoA NAD(P)H RCH2NH2 O2 RCHO H2O2 4-Aminobutanoate 2-oxoglutarate succinate_semialdehyde L-glutamate Beta-alanyl-L-histidine L-histidine N-Carbamoyl-beta-alanine 5,6-Dihydrouracil 3-ureidopropionate KERNEL matrix dimension r2 x c8 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 3.5.1.6 irreversible 2: 3.5.2.2 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. SUBSETS OF REACTIONS matrix dimension r2 x c8 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 3.5.1.6 irreversible 2: 3.5.2.2 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. REDUCED SYSTEM with 21 branch point metabolites in 2 reactions (columns) matrix dimension r0 x c2 The following line indicates reversible (0) and irreversible reactions (1) 1 1 -> Branch metabolites are : met cons built reactions -> No branch metabolites are : met cons built reactions 3-Oxopropanoate 1 0 1 i CoA 1 0 1 i NAD(P)+ 1 0 1 i acetyl-CoA 0 1 1 i CO2 0 2 2 ir NAD(P)H 0 1 1 i RCH2NH2 1 0 1 i O2 1 0 1 i RCHO 0 1 1 i NH3 0 2 2 ir H2O2 0 1 1 i 4-Aminobutanoate 1 0 1 r 2-oxoglutarate 1 0 1 r succinate_semialdehyde 0 1 1 r L-glutamate 0 1 1 r Beta-alanyl-L-histidine 1 0 1 i beta-alanine 0 2 2 ir L-histidine 0 1 1 i N-Carbamoyl-beta-alanine 1 0 1 r 5,6-Dihydrouracil 1 0 1 r 3-ureidopropionate 0 1 1 r CONVEX BASIS matrix dimension r2 x c8 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 enzymes 1: 3.5.1.6 irreversible 2: 3.5.2.2 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. CONSERVATION RELATIONS matrix dimension r15 x c21 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 -1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 -1 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 : 3-Oxopropanoate + CoA = const 2 : 3-Oxopropanoate + NAD(P)+ = const 3 : 3-Oxopropanoate + acetyl-CoA = const 4 : 3-Oxopropanoate + NAD(P)H = const 5 : RCH2NH2 + O2 = const 6 : RCH2NH2 + RCHO = const 7 : 3-Oxopropanoate + CO2 + RCH2NH2 + NH3 = const 8 : RCH2NH2 + H2O2 = const 9 : 4-Aminobutanoate + 2-oxoglutarate = const 10 : 4-Aminobutanoate + succinate_semialdehyde = const 11 : 4-Aminobutanoate + L-glutamate = const 12 : 3-Oxopropanoate + CO2 + Beta-alanyl-L-histidine + beta-alanine = const 13 : Beta-alanyl-L-histidine + L-histidine = const 14 : 3-Oxopropanoate + CO2 + N-Carbamoyl-beta-alanine = const 15 : 5,6-Dihydrouracil + 3-ureidopropionate = const ELEMENTARY MODES matrix dimension r2 x c8 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 3.5.1.6 irreversible 2: 3.5.2.2 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. The elementary modes ARE EQUAL to convex basis.