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Table 3 Main properties of the simplex vertices under the assumption of constant ATP-production

From: Exploring metabolism flexibility in complex organisms through quantitative study of precursor sets for system outputs

 

Dataset

Model name

Example of

Combinatorics of pathways

 

Validation

Pathways with

   

maximized

       

nonrelevant flux

   

function

R 19

R 15

R 14

R 8

R 64

R 63

R 13

values

    

NADPH

OAA →G3P

OAA →PYR

G3P →G6P

Peptide

Peptide

Pyr OAA

 
    

oxidation

   

hydrolysis

synthesis

  

Extreme flux distributions within the set of plausible solutions

(Ctrl)

B

v 15- v 19

0

1831

0

0

0

125

1835

R 13, R 64

(CN)

795

150

803

(Ctrl)

F

v 14- v 19

0

0

1831

0

0

125

1835

R 13, R 64

(CN)

795

150

803

(Ctrl)

D

v 8- v 19

0

0

0

3662

0

125

4

R 8, R 64

(CN)

1590

150

8

(Ctrl)

H

v 64- v 19

0

0

0

0

305

430

4

 

(CN)

133

283

8

(Cntl)

A

v 15 + v 19

694

1714

0

0

0

125

1718

R 13, R 64

(CN)

22

791

150

799

(Ctrl)

E

v 14 + v 19

694

0

1714

0

0

125

1718

R 13, R 64

(CN)

22

791

150

799

(Ctrl)

C

v 8 + v 19

694

0

0

3428

0

125

4

R 8, R 64

(CN)

22

1583

150

8

(Ctrl)

G

v 64 + v 19

669

0

0

0

286

410

4

 
 

(CN)

22

132

282

8

Litterature-based upperbounds for fluxes

    

≤ 591

Non-zero

Lower than

≤ 266 mmol/h/half

 
       

mmol/

[28, 31]

whole body

udder [33]

 
       

h/half udder [33]

 

protein synthesis [29]

  
  1. The qualitative properties of all vertices are shared in (Ctrl) and (CN) treatments. Both correspond to a simplex with height vertices. So are six of each of the (Ctrl) and (CN) simplex vertices. H and G vertices, in the (Ctrl) and (CN) treatments, are plausible with respect to the literature.