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.