1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
|
METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE
INPUT FILE: EXAMPLE8.TXT
INTERNAL METABOLITES: 14
REACTIONS: 6
2 external NAD+
2 external 2,3-dihydroxybenzoate
2 external NADH
2 external ATP
2 external diphosphate
1 int 2,3-Dihydro-2,3-dihydroxybenzoate
1 int ubiquinone
1 int ubiquinol
1 int S-Adenosyl-L-methionine
1 int 3-demethylubiquinone-9
1 int S-adenosyl-L-homocysteine
1 int ubiquinone-9
1 int (2,3-dihydroxybenzoyl)adenylate
1 int Chorismate
1 int isochorismate
1 int o-succinylbenzoate
1 int CoA
1 int AMP
1 int o-succinylbenzoyl-CoA
19 metabolites, 24 is the summarized frequency
edges frequency of nodes
0 0
1 14
2 5
STOICHIOMETRIC MATRIX
matrix dimension r14 x c6
-1 0 0 0 0 0
0 -1 0 0 0 0
0 1 0 0 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 1 0 0 0
0 0 0 -1 0 0
0 0 0 1 0 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
The following line indicates reversible (0) and irreversible reactions (1)
0 0 0 0 1 1
rows and columns are sorted as declared in the inputfile
NOT BALANCED INTERNAL METABOLITES
2,3-Dihydro-2,3-dihydroxybenzoate ubiquinone ubiquinol S-Adenosyl-L-methionine 3-demethylubiquinone-9 S-adenosyl-L-homocysteine ubiquinone-9 (2,3-dihydroxybenzoyl)adenylate Chorismate isochorismate o-succinylbenzoate CoA AMP o-succinylbenzoyl-CoA
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 14 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
2,3-Dihydro-2,3-dihydroxybenzoate 1 0 1 r
ubiquinone 1 0 1 r
ubiquinol 0 1 1 r
S-Adenosyl-L-methionine 1 0 1 i
3-demethylubiquinone-9 1 0 1 i
S-adenosyl-L-homocysteine 0 1 1 i
ubiquinone-9 0 1 1 i
(2,3-dihydroxybenzoyl)adenylate 0 1 1 r
Chorismate 1 0 1 r
isochorismate 0 1 1 r
o-succinylbenzoate 1 0 1 i
CoA 1 0 1 i
AMP 0 1 1 i
o-succinylbenzoyl-CoA 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 r8 x c14
0 1 1 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 1 0 1 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 1 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 1 0 1 0
0 0 0 0 0 0 0 0 0 0 1 0 0 1
1 : ubiquinone + ubiquinol = const
2 : S-Adenosyl-L-methionine + 3-demethylubiquinone-9 = const
3 : S-Adenosyl-L-methionine + S-adenosyl-L-homocysteine = const
4 : S-Adenosyl-L-methionine + ubiquinone-9 = const
5 : Chorismate + isochorismate = const
6 : o-succinylbenzoate + CoA = const
7 : o-succinylbenzoate + AMP = const
8 : o-succinylbenzoate + o-succinylbenzoyl-CoA = 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.
|
