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METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE
INPUT FILE: example2.txt
INTERNAL METABOLITES: 15
REACTIONS: 19
6 int GAP
5 int F6P
3 external ATP
3 int FDP
3 external ADP
3 int Ru5P
3 int R5P
3 int X5P
2 external G6P
2 external Pi
2 int DHAP
2 int D13PG
2 external NADP
2 int GO6P
2 external NADPH
2 int GL6P
2 int S7P
2 int E4P
2 int P3G
2 int P2G
2 int PEP
1 external NAD
1 external NADH
1 external CO2
1 external PYR
1 external R5Pex
26 metabolites, 60 is the summarized frequency
edges frequency of nodes
0 0
1 5
2 13
3 6
4 0
5 1
6 1
STOICHIOMETRIC MATRIX
matrix dimension r15 x c19
0 0 0 0 0 0 -1 1 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 1 -1 -1 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 1 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 1 0 0 0 -1 0 0 0 0
0 1 -1 0 0 0 0 0 0 0 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
1 0 0 0 0 0 1 1 0 0 0 -1 1 0 0 0 0 0 0
0 1 1 0 0 1 1 -1 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 -1 0 1 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 0 1 -1 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 -1 0 0
0 0 0 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 -1
The following line indicates reversible (0) and irreversible reactions (1)
0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1
rows and columns are sorted as declared in the inputfile
KERNEL
matrix dimension r4 x c19
0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
5 1 1 -2 -4 -2 -2 -2 0 0 -6 1 0 -6 -6 0 0 0 0
1 1 1 0 0 0 0 0 2 2 0 1 0 0 0 2 2 2 0
-5 -1 -1 -4 4 2 2 2 0 0 0 -1 0 0 0 0 0 0 -6
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: Pfk Fbp irreversible
2: (5 Pgi) Ald Tpi (-2 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) (-6 Pgl) Pfk (-6 Zwf) (-6 Gnd) irreversible
3: Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
4: (-5 Pgi) -Ald -Tpi (-4 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) -Pfk (-6 Prs_DeoB) irreversible
overall reaction
1: ATP = ADP + Pi
2: 6 CO2 + ATP + 12 NADPH = ADP + 12 NADP + G6P
3: 3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
4: ADP + 6 R5Pex = ATP + 5 G6P
SUBSETS OF REACTIONS
matrix dimension r9 x c19
1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0
0 0 0 0 2 1 1 1 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 1 1 1 0
0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 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 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
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: Pgi reversible
2: Ald Tpi reversible
3: Rpi reversible
4: (2 Rpe) TktI TktII Tal reversible
5: Gpm Eno Pgk Pyk Gap irreversible
6: Pgl Zwf Gnd irreversible
7: Pfk irreversible
8: Fbp irreversible
9: Prs_DeoB irreversible
overall reaction
1: G6P = F6P
2: FDP = 2 GAP
3: Ru5P = R5P
4: 2 Ru5P + R5P = 2 F6P + GAP
5: GAP + 2 ADP + NAD + Pi = 2 ATP + NADH + PYR
6: 2 NADP + G6P = Ru5P + CO2 + 2 NADPH
7: F6P + ATP = FDP + ADP
8: FDP = F6P + Pi
9: R5P = R5Pex
REDUCED SYSTEM with 5 branch point metabolites in 9 reactions (columns)
matrix dimension r5 x c9
0 0 -1 -2 0 1 0 0 0
0 -1 0 0 0 0 1 -1 0
1 0 0 2 0 0 -1 1 0
0 2 0 1 -1 0 0 0 0
0 0 1 -1 0 0 0 0 -1
The following line indicates reversible (0) and irreversible reactions (1)
0 0 0 0 1 1 1 1 1
-> Branch metabolites are :
met cons built reactions
Ru5P 2 1 3 irr
FDP 2 1 3 iir
F6P 1 4 5 riirr
GAP 2 4 6 rrirrr
R5P 2 1 3 rri
-> No branch metabolites are :
met cons built reactions
E4P 1 1 2 rr
S7P 1 1 2 rr
X5P 2 1 3 rrr
GO6P 1 1 2 ir
GL6P 1 1 2 ri
DHAP 1 1 2 rr
D13PG 1 1 2 ii
P3G 1 1 2 ir
P2G 1 1 2 rr
PEP 1 1 2 ri
CONVEX BASIS
matrix dimension r6 x c19
0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1
-2 0 0 1 2 1 1 1 1 1 3 0 0 3 3 1 1 1 0
-5 -1 -1 2 4 2 2 2 0 0 6 0 1 6 6 0 0 0 0
5 1 1 4 -4 -2 -2 -2 0 0 0 1 0 0 0 0 0 0 6
1 1 1 0 0 0 0 0 2 2 0 1 0 0 0 2 2 2 0
0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
enzymes
1: Rpi Pgl Zwf Gnd Prs_DeoB irreversible
2: (-2 Pgi) Rpi (2 Rpe) TktI TktII Tal Gpm Eno (3 Pgl) (3 Zwf) (3 Gnd) Pgk Pyk Gap irreversible
3: (-5 Pgi) -Ald -Tpi (2 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) (6 Pgl) Fbp (6 Zwf) (6 Gnd) irreversible
4: (5 Pgi) Ald Tpi (4 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) Pfk (6 Prs_DeoB) irreversible
5: Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
6: Pfk Fbp irreversible
overall reaction
1: 2 NADP + G6P = CO2 + 2 NADPH + R5Pex
2: 2 ADP + NAD + 6 NADP + G6P + Pi = 3 CO2 + 2 ATP + NADH + 6 NADPH + PYR
3: 12 NADP + G6P = 6 CO2 + 12 NADPH + Pi
4: ATP + 5 G6P = ADP + 6 R5Pex
5: 3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
6: ATP = ADP + Pi
CONSERVATION RELATIONS
matrix dimension r0 x c15
ELEMENTARY MODES
matrix dimension r7 x c19
0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0
1 1 1 0 0 0 0 0 2 2 0 1 0 0 0 2 2 2 0
0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1
-2 0 0 1 2 1 1 1 1 1 3 0 0 3 3 1 1 1 0
-5 -1 -1 2 4 2 2 2 0 0 6 0 1 6 6 0 0 0 0
0 2 2 1 2 1 1 1 5 5 3 2 0 3 3 5 5 5 0
5 1 1 4 -4 -2 -2 -2 0 0 0 1 0 0 0 0 0 0 6
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
1: Pfk Fbp irreversible
2: Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
3: Rpi Pgl Zwf Gnd Prs_DeoB irreversible
4: (-2 Pgi) Rpi (2 Rpe) TktI TktII Tal Gpm Eno (3 Pgl) (3 Zwf) (3 Gnd) Pgk Pyk Gap irreversible
5: (-5 Pgi) -Ald -Tpi (2 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) (6 Pgl) Fbp (6 Zwf) (6 Gnd) irreversible
6: (2 Ald) (2 Tpi) Rpi (2 Rpe) TktI TktII Tal (5 Gpm) (5 Eno) (3 Pgl) (2 Pfk) (3 Zwf) (3 Gnd) (5 Pgk) (5 Pyk) (5 Gap) irreversible
7: (5 Pgi) Ald Tpi (4 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) Pfk (6 Prs_DeoB) irreversible
overall reaction
1: ATP = ADP + Pi
2: 3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
3: 2 NADP + G6P = CO2 + 2 NADPH + R5Pex
4: 2 ADP + NAD + 6 NADP + G6P + Pi = 3 CO2 + 2 ATP + NADH + 6 NADPH + PYR
5: 12 NADP + G6P = 6 CO2 + 12 NADPH + Pi
6: 8 ADP + 5 NAD + 6 NADP + 3 G6P + 5 Pi = 3 CO2 + 8 ATP + 5 NADH + 6 NADPH + 5 PYR
7: ATP + 5 G6P = ADP + 6 R5Pex
The elementary mode 6 is additional to the convex basis.
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