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METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE
INPUT FILE: EXAMPLE6.TXT
INTERNAL METABOLITES: 13
REACTIONS: 6
4 external H2O
3 external H2O2
3 external O2
2 int RCH2NH2
2 int RCHO
2 int NH3
1 int Donor
1 int oxidized_donor
1 int 4-Hydroxyphenylpyruvate
1 int homogentisate
1 int CO2
1 int An_aldehyde
1 int NAD(P)+
1 int an_acid
1 int NAD(P)H
1 int H+
16 metabolites, 26 is the summarized frequency
edges frequency of nodes
0 0
1 10
2 3
3 2
4 1
STOICHIOMETRIC MATRIX
matrix dimension r13 x c6
0 -1 0 0 0 0
0 1 0 0 0 0
0 0 -1 0 0 0
0 0 1 0 0 0
0 0 1 0 0 0
-1 0 0 0 0 0
-1 0 0 0 0 0
1 0 0 0 0 0
1 0 0 0 0 0
1 0 0 0 0 0
0 0 0 0 -1 -1
0 0 0 0 1 1
0 0 0 0 1 1
The following line indicates reversible (0) and irreversible reactions (1)
0 1 1 1 1 1
rows and columns are sorted as declared in the inputfile
NOT BALANCED INTERNAL METABOLITES
Donor oxidized_donor 4-Hydroxyphenylpyruvate homogentisate CO2 An_aldehyde NAD(P)+ an_acid NAD(P)H H+
KERNEL
matrix dimension r2 x c6
0 0 0 1 0 0
0 0 0 0 1 -1
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: 1.2.1.5 irreversible
2: 1.4.3.4 -1.4.3.6 irreversible
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
SUBSETS OF REACTIONS
matrix dimension r2 x c6
0 0 0 1 0 0
0 0 0 0 -1 1
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: 1.2.1.5 irreversible
2: -1.4.3.4 1.4.3.6 irreversible
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
!!! Subset 2 with contradictory irreversibility constraints, please check your model.
Enzymes of that subset are cancelled for further calculations.
REDUCED SYSTEM with 13 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
Donor 1 0 1 i
oxidized_donor 0 1 1 i
4-Hydroxyphenylpyruvate 1 0 1 i
homogentisate 0 1 1 i
CO2 0 1 1 i
An_aldehyde 1 0 1 r
NAD(P)+ 1 0 1 r
an_acid 0 1 1 r
NAD(P)H 0 1 1 r
H+ 0 1 1 r
RCH2NH2 2 0 2 ii
RCHO 0 2 2 ii
NH3 0 2 2 ii
CONVEX BASIS
matrix dimension r1 x c6
0 0 0 1 0 0
enzymes
1: 1.2.1.5 irreversible
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
CONSERVATION RELATIONS
matrix dimension r9 x c13
1 1 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 1 0 1 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 1 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 1 0 0 0 1 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 1 0 1
1 : Donor + oxidized_donor = const
2 : 4-Hydroxyphenylpyruvate + homogentisate = const
3 : 4-Hydroxyphenylpyruvate + CO2 = const
4 : An_aldehyde + NAD(P)+ = const
5 : An_aldehyde + an_acid = const
6 : An_aldehyde + NAD(P)H = const
7 : An_aldehyde + H+ = const
8 : RCH2NH2 + RCHO = const
9 : RCH2NH2 + NH3 = const
ELEMENTARY MODES
matrix dimension r1 x c6
0 0 0 1 0 0
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: 1.2.1.5 irreversible
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
The elementary modes ARE EQUAL to convex basis.
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