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.
