METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE

INPUT FILE: EXAMPLE4.TXT

INTERNAL METABOLITES: 21
REACTIONS: 8

  4 external H2O
  2 int      CO2
  2 int      NH3
  2 int      beta-alanine
  1 int      3-Oxopropanoate
  1 int      CoA
  1 int      NAD(P)+
  1 int      acetyl-CoA
  1 int      NAD(P)H
  1 int      RCH2NH2
  1 int      O2
  1 int      RCHO
  1 int      H2O2
  1 int      4-Aminobutanoate
  1 int      2-oxoglutarate
  1 int      succinate_semialdehyde
  1 int      L-glutamate
  1 int      Beta-alanyl-L-histidine
  1 int      L-histidine
  1 int      N-Carbamoyl-beta-alanine
  1 int      5,6-Dihydrouracil
  1 int      3-ureidopropionate
 22 metabolites,  28 is the summarized frequency

edges	frequency of nodes
  0	  0
  1	 18
  2	  3
  3	  0
  4	  1

STOICHIOMETRIC MATRIX
 
 matrix dimension r21 x c8
 0  0  0 -1  0  0  0  0 
 0  0  0 -1  0  0  0  0 
 0  0  0 -1  0  0  0  0 
 0  0  0  1  0  0  0  0 
 0  1  0  1  0  0  0  0 
 0  0  0  1  0  0  0  0 
 0  0  0  0 -1  0  0  0 
 0  0  0  0 -1  0  0  0 
 0  0  0  0  1  0  0  0 
 0  1  0  0  1  0  0  0 
 0  0  0  0  1  0  0  0 
-1  0  0  0  0  0  0  0 
-1  0  0  0  0  0  0  0 
 1  0  0  0  0  0  0  0 
 1  0  0  0  0  0  0  0 
 0  0  0  0  0 -1  0  0 
 0  1  0  0  0  1  0  0 
 0  0  0  0  0  1  0  0 
 0 -1  0  0  0  0  0  0 
 0  0 -1  0  0  0  0  0 
 0  0  1  0  0  0  0  0 
The following line indicates reversible (0) and irreversible reactions (1)
 0  0  0  1  1  1  1  1 
rows and columns are sorted as declared in the inputfile

NOT BALANCED INTERNAL METABOLITES
3-Oxopropanoate	CoA	NAD(P)+	acetyl-CoA	NAD(P)H	RCH2NH2	O2	RCHO	H2O2	4-Aminobutanoate	2-oxoglutarate	succinate_semialdehyde	L-glutamate	Beta-alanyl-L-histidine	L-histidine	N-Carbamoyl-beta-alanine	5,6-Dihydrouracil	3-ureidopropionate	

KERNEL
 
 matrix dimension r2 x c8
 0  0  0  0  0  0  1  0 
 0  0  0  0  0  0  0  1 
8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 3.5.1.6 irreversible
 2:	 3.5.2.2 irreversible

 overall reaction
 - not found -


The remaining overall reactions perform no net transformation of external metabolites.

SUBSETS OF REACTIONS
 
 matrix dimension r2 x c8
 0  0  0  0  0  0  1  0 
 0  0  0  0  0  0  0  1 
8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 3.5.1.6 irreversible
 2:	 3.5.2.2 irreversible

 overall reaction
 - not found -


The remaining overall reactions perform no net transformation of external metabolites.

REDUCED SYSTEM with 21 branch point metabolites in 2 reactions (columns)
 
 matrix dimension r0 x c2
The following line indicates reversible (0) and irreversible reactions (1)
 1  1 

-> Branch metabolites are : 
met                 	cons	built	reactions

-> No branch metabolites are : 
met                 	cons	built	reactions
3-Oxopropanoate     	1	0	1	i
CoA                 	1	0	1	i
NAD(P)+             	1	0	1	i
acetyl-CoA          	0	1	1	i
CO2                 	0	2	2	ir
NAD(P)H             	0	1	1	i
RCH2NH2             	1	0	1	i
O2                  	1	0	1	i
RCHO                	0	1	1	i
NH3                 	0	2	2	ir
H2O2                	0	1	1	i
4-Aminobutanoate    	1	0	1	r
2-oxoglutarate      	1	0	1	r
succinate_semialdehyde	0	1	1	r
L-glutamate         	0	1	1	r
Beta-alanyl-L-histidine	1	0	1	i
beta-alanine        	0	2	2	ir
L-histidine         	0	1	1	i
N-Carbamoyl-beta-alanine	1	0	1	r
5,6-Dihydrouracil   	1	0	1	r
3-ureidopropionate  	0	1	1	r

CONVEX BASIS
 
 matrix dimension r2 x c8
 0  0  0  0  0  0  1  0 
 0  0  0  0  0  0  0  1 

 enzymes

 1:	 3.5.1.6 irreversible
 2:	 3.5.2.2 irreversible

 overall reaction
 - not found -


The remaining overall reactions perform no net transformation of external metabolites.

CONSERVATION RELATIONS
 
 matrix dimension r15 x c21
 1 -1  0  0  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 
 1  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0 
 1  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  1 -1  0  0  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 
-1  0  0  0 -1  0  1  0  0  1  0  0  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  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  1  0  0  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 
-1  0  0  0 -1  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  1  0  0  0 
 1  0  0  0  1  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  1  1 
 1 :	3-Oxopropanoate + CoA = const
 2 :	3-Oxopropanoate + NAD(P)+ = const
 3 :	3-Oxopropanoate + acetyl-CoA = const
 4 :	3-Oxopropanoate + NAD(P)H = const
 5 :	RCH2NH2 + O2 = const
 6 :	RCH2NH2 + RCHO = const
 7 :	3-Oxopropanoate + CO2 + RCH2NH2 + NH3 = const
 8 :	RCH2NH2 + H2O2 = const
 9 :	4-Aminobutanoate + 2-oxoglutarate = const
10 :	4-Aminobutanoate + succinate_semialdehyde = const
11 :	4-Aminobutanoate + L-glutamate = const
12 :	3-Oxopropanoate + CO2 + Beta-alanyl-L-histidine + beta-alanine = const
13 :	Beta-alanyl-L-histidine + L-histidine = const
14 :	3-Oxopropanoate + CO2 + N-Carbamoyl-beta-alanine = const
15 :	5,6-Dihydrouracil + 3-ureidopropionate = const

ELEMENTARY MODES
 
 matrix dimension r2 x c8
 0  0  0  0  0  0  1  0 
 0  0  0  0  0  0  0  1 
8 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 3.5.1.6 irreversible
 2:	 3.5.2.2 irreversible

 overall reaction
 - not found -


The remaining overall reactions perform no net transformation of external metabolites.

The elementary modes ARE EQUAL to convex basis.
