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METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE
INPUT FILE: EXAMPLE7.TXT
INTERNAL METABOLITES: 19
REACTIONS: 6
2 external NADPH
2 external NADP+
2 external isopentenyl_diphosphate
1 int (S)-3-Hydroxy-3-methylglutaryl-CoA
1 int (R)-mevalonate
1 int CoA
1 int Calcidiol
1 int O2
1 int calcitriol
1 int H2O
1 int Geranyl_diphosphate
1 int diphosphate
1 int trans,trans-farnesyl_diphosphate
1 int ATP
1 int (R)-5-diphosphomevalonate
1 int ADP
1 int phosphate
1 int CO2
1 int Isopentenyl_diphosphate
1 int dimethylallyl_diphosphate
1 int (S)-2,3-Epoxysqualene
1 int lanosterol
22 metabolites, 25 is the summarized frequency
edges frequency of nodes
0 0
1 19
2 3
STOICHIOMETRIC MATRIX
matrix dimension r19 x c6
0 -1 0 0 0 0
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
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 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
-1 0 0 0 0 0
1 0 0 0 0 0
0 0 0 0 0 -1
0 0 0 0 0 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
(S)-3-Hydroxy-3-methylglutaryl-CoA (R)-mevalonate CoA Calcidiol O2 calcitriol H2O Geranyl_diphosphate diphosphate trans,trans-farnesyl_diphosphate ATP (R)-5-diphosphomevalonate ADP phosphate CO2 Isopentenyl_diphosphate dimethylallyl_diphosphate (S)-2,3-Epoxysqualene lanosterol
KERNEL
matrix dimension r0 x c6
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
- not found -
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
SUBSETS OF REACTIONS
matrix dimension r0 x c6
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
- not found -
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
REDUCED SYSTEM with 19 branch point metabolites in 6 reactions (columns)
matrix dimension r0 x c6
The following line indicates reversible (0) and irreversible reactions (1)
0 0 0 0 0 0
-> Branch metabolites are :
met cons built reactions
-> No branch metabolites are :
met cons built reactions
(S)-3-Hydroxy-3-methylglutaryl-CoA 1 0 1 i
(R)-mevalonate 0 1 1 i
CoA 0 1 1 i
Calcidiol 1 0 1 i
O2 1 0 1 i
calcitriol 0 1 1 i
H2O 0 1 1 i
Geranyl_diphosphate 1 0 1 i
diphosphate 0 1 1 i
trans,trans-farnesyl_diphosphate 0 1 1 i
ATP 1 0 1 i
(R)-5-diphosphomevalonate 1 0 1 i
ADP 0 1 1 i
phosphate 0 1 1 i
CO2 0 1 1 i
Isopentenyl_diphosphate 1 0 1 r
dimethylallyl_diphosphate 0 1 1 r
(S)-2,3-Epoxysqualene 1 0 1 i
lanosterol 0 1 1 i
CONVEX BASIS
matrix dimension r0 x c6
enzymes
- not found -
overall reaction
- not found -
The remaining overall reactions perform no net transformation of external metabolites.
CONSERVATION RELATIONS
matrix dimension r13 x c19
1 1 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 -1 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 1 0 0 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 1 0 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 1 0 1 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 1 0 0 0 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 1
1 : (S)-3-Hydroxy-3-methylglutaryl-CoA + (R)-mevalonate = const
2 : (S)-3-Hydroxy-3-methylglutaryl-CoA + CoA = const
3 : Calcidiol + O2 = const
4 : Calcidiol + calcitriol = const
5 : Calcidiol + H2O = const
6 : Geranyl_diphosphate + diphosphate = const
7 : Geranyl_diphosphate + trans,trans-farnesyl_diphosphate = const
8 : ATP + (R)-5-diphosphomevalonate = const
9 : ATP + ADP = const
10 : ATP + phosphate = const
11 : ATP + CO2 = const
12 : Isopentenyl_diphosphate + dimethylallyl_diphosphate = const
13 : (S)-2,3-Epoxysqualene + lanosterol = const
ELEMENTARY MODES
matrix dimension r0 x c6
6 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.
enzymes
- not found -
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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