METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE INPUT FILE: EXAMPLE15.TXT INTERNAL METABOLITES: 26 REACTIONS: 11 4 external H2O 2 int NH3 2 int S-Adenosyl-L-methionine 2 int S-adenosyl-L-homocysteine 2 int N-formimino-L-glutamate 1 int RCH2NH2 1 int O2 1 int RCHO 1 int H2O2 1 int carnosine 1 int anserine 1 int histamine 1 int Ntau-methylhistamine 1 int 5-Formiminotetrahydrofolate 1 int L-glutamate 1 int tetrahydrofolate 1 int N-Acetyl-L-aspartate 1 int a_fatty_acid_anion 1 int L-aspartate 1 int 4-Imidazolone-5-propanoate 1 int L-Tryptophan 1 int tryptamine 1 int CO2 1 int Urocanate 1 int 4,5-dihydro-4-oxo-5-imidazolepropanoate 1 int L-Histidine 1 int urocanate 27 metabolites, 34 is the summarized frequency edges frequency of nodes 0 0 1 22 2 4 3 0 4 1 STOICHIOMETRIC MATRIX matrix dimension r26 x c11 0 0 -1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 The following line indicates reversible (0) and irreversible reactions (1) 0 0 1 1 1 1 1 1 1 1 1 rows and columns are sorted as declared in the inputfile NOT BALANCED INTERNAL METABOLITES RCH2NH2 O2 RCHO H2O2 carnosine anserine histamine Ntau-methylhistamine 5-Formiminotetrahydrofolate L-glutamate tetrahydrofolate N-Acetyl-L-aspartate a_fatty_acid_anion L-aspartate 4-Imidazolone-5-propanoate L-Tryptophan tryptamine CO2 Urocanate 4,5-dihydro-4-oxo-5-imidazolepropanoate L-Histidine urocanate KERNEL matrix dimension r2 x c11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 2.1.2.5 irreversible 2: 4.3.1.3 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. SUBSETS OF REACTIONS matrix dimension r2 x c11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 2.1.2.5 irreversible 2: 4.3.1.3 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. REDUCED SYSTEM with 26 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 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 S-Adenosyl-L-methionine 2 0 2 ii carnosine 1 0 1 i S-adenosyl-L-homocysteine 0 2 2 ii anserine 0 1 1 i histamine 1 0 1 i Ntau-methylhistamine 0 1 1 i 5-Formiminotetrahydrofolate 1 0 1 r L-glutamate 1 0 1 r tetrahydrofolate 0 1 1 r N-formimino-L-glutamate 0 2 2 ri N-Acetyl-L-aspartate 1 0 1 i a_fatty_acid_anion 0 1 1 i L-aspartate 0 1 1 i 4-Imidazolone-5-propanoate 1 0 1 i L-Tryptophan 1 0 1 i tryptamine 0 1 1 i CO2 0 1 1 i Urocanate 1 0 1 i 4,5-dihydro-4-oxo-5-imidazolepropanoate 0 1 1 i L-Histidine 1 0 1 r urocanate 0 1 1 r CONVEX BASIS matrix dimension r2 x c11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 enzymes 1: 2.1.2.5 irreversible 2: 4.3.1.3 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. CONSERVATION RELATIONS matrix dimension r17 x c26 1 -1 0 0 0 0 0 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 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 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 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 0 0 0 0 1 -1 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 -1 0 0 0 0 0 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 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 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 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 0 1 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 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 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 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 -1 1 : RCH2NH2 + O2 = const 2 : RCH2NH2 + RCHO = const 3 : RCH2NH2 + H2O2 = const 4 : S-Adenosyl-L-methionine + S-adenosyl-L-homocysteine = const 5 : carnosine + anserine = const 6 : S-Adenosyl-L-methionine + carnosine + histamine = const 7 : S-Adenosyl-L-methionine + carnosine + Ntau-methylhistamine = const 8 : 5-Formiminotetrahydrofolate + L-glutamate = const 9 : 5-Formiminotetrahydrofolate + tetrahydrofolate = const 10 : N-Acetyl-L-aspartate + a_fatty_acid_anion = const 11 : N-Acetyl-L-aspartate + L-aspartate = const 12 : 5-Formiminotetrahydrofolate + N-formimino-L-glutamate + 4-Imidazolone-5-propanoate = const 13 : L-Tryptophan + tryptamine = const 14 : L-Tryptophan + CO2 = const 15 : Urocanate + 4,5-dihydro-4-oxo-5-imidazolepropanoate = const 16 : RCH2NH2 + NH3 + L-Histidine = const 17 : RCH2NH2 + NH3 + urocanate = const ELEMENTARY MODES matrix dimension r2 x c11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 11 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: 2.1.2.5 irreversible 2: 4.3.1.3 irreversible overall reaction - not found - The remaining overall reactions perform no net transformation of external metabolites. The elementary modes ARE EQUAL to convex basis.