EColi core metabolic model

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METABOLITACALD ACALDt ACKr ACONTa ACONTb ACt2r ADK1 13dpg 0 0 0 0 0 0 0 2pg 0 0 0 0 0 0 0 3pg 0 0 0 0 0 0 0 6pgc 0 0 0 0 0 0 0 6pgl 0 0 0 0 0 0 0 ac 0 0 -1 0 0 1 0 ac(e) 0 0 0 0 0 -1 0 acald -1 1 0 0 0 0 0 acald[e] 0 -1 0 0 0 0 0 accoa 1 0 0 0 0 0 0 acon-C 0 0 0 1 -1 0 0 actp 0 0 1 0 0 0 0 adp 0 0 1 0 0 0 2 akg 0 0 0 0 0 0 0 akg(e) 0 0 0 0 0 0 0 amp 0 0 0 0 0 0 -1 atp 0 0 -1 0 0 0 -1 cit 0 0 0 -1 0 0 0 co2 0 0 0 0 0 0 0 co2(e) 0 0 0 0 0 0 0 coa -1 0 0 0 0 0 0 dhap 0 0 0 0 0 0 0 e4p 0 0 0 0 0 0 0 etoh 0 0 0 0 0 0 0 etoh(e) 0 0 0 0 0 0 0 f6p 0 0 0 0 0 0 0 fdp 0 0 0 0 0 0 0 for 0 0 0 0 0 0 0 for(e) 0 0 0 0 0 0 0 fru[e] 0 0 0 0 0 0 0 fum 0 0 0 0 0 0 0 fum(e) 0 0 0 0 0 0 0 g3p 0 0 0 0 0 0 0 g6p 0 0 0 0 0 0 0 glc-D(e) 0 0 0 0 0 0 0 gln-L 0 0 0 0 0 0 0 gln-L(e) 0 0 0 0 0 0 0 glu-L 0 0 0 0 0 0 0 glu-L(e) 0 0 0 0 0 0 0 glx 0 0 0 0 0 0 0 h2o 0 0 0 1 -1 0 0 h2o(e) 0 0 0 0 0 0 0 h 1 0 0 0 0 1 0 h(e) 0 0 0 0 0 -1 0

description

EColi core metabolic model using extreme pathways algorithm

Transcript of EColi core metabolic model

METABOLITE / ABBREVIATION ACALD ACALDt 13dpg 0 2pg 0 3pg 0 6pgc 0 6pgl 0 ac 0 ac(e) 0 acald -1 acald[e] 0 accoa 1 acon-C 0 actp 0 adp 0 akg 0 akg(e) 0 amp 0 atp 0 cit 0 co2 0 co2(e) 0 coa -1 dhap 0 e4p 0 etoh 0 etoh(e) 0 f6p 0 fdp 0 for 0 for(e) 0 fru[e] 0 fum 0 fum(e) 0 g3p 0 g6p 0 glc-D(e) 0 gln-L 0 gln-L(e) 0 glu-L 0 glu-L(e) 0 glx 0 h2o 0 h2o(e) 0 h 1 h(e) 0 icit 0 lac-D 0

ACKr 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0

ACONTa 0 0 0 0 0 0 0 0 0 0 1 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 0 1 0 0 0 0 0

ACONTb 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 0 0 0 0 0 0 0 0 -1 0 0 0 1 0

ACt2r 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0

ADK1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 -1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

AKGDH 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 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 0 0 0 0 0 0

lac-D(e) mal-L mal-L[e] nad nadh nadp nadph nh4 nh4(e) o2 o2(e) oaa pep pi pi(e) pyr pyr(e) q8 q8h2 r5p ru5p-D s7p succ succ(e) succoa xu5p-D

0 0 0 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

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AKGt2r 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 0 0 0 0 0 0 0 0 1 -1 0 0

ALCD2x 0 0 0 0 0 0 0 1 0 0 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 1 0 0 0

ATPM 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 0 0 -1 0 1 0 0 0

ATPS4r 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 0 0 1 0 3 -4 0 0

Biomass_Ecoli_core CS CO2t 0 0 0 0 -1.496 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 0 0 0 0 0 59.81 0 4.1182 0 0 0 0 0 -59.81 0 0 0 0 1 0 -1 3.7478 0 0 0 -0.361 0 0 0 0 0 -0.0709 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.129 0 -0.205 0 0 0 -0.2557 0 0 0 -4.9414 0 0 0 0 0 -59.81 0 0 0 59.81 0 0 0 0 0 0 0

CYTBD 0 0 0 0 0 0 0 0 0 -1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 -2 2 0 0

D-LACt2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 1

0 0 0 0 0 0 0 0 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 0 0

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 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0

0 0 0 -3.547 3.547 13.0279 -13.0279 0 0 0 0 -1.7867 -0.5191 59.81 0 -2.8328 0 0 0 -0.8977 0 0 0 0 0 0

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

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ENO 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0

ETOHt2r 0 0 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 1 -1 0 0

EX_ac(e) 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

EX_acald(e)EX_akg(e) EX_co2(e) EX_etoh(e) EX_for(e) EX_fru(e) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 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 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 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 0 0 0 -1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

EX_fum(e) EX_glc(e) EX_gln_L(e)EX_glu_L(e)EX_h(e) EX_h2o(e) EX_lac_D(e)EX_mal_L(e) X_nh4(e) E 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 -1 0 0 0 0 0 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 0 0 0 0 0 0 0 -1 0 0 0 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 0

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-1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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

EX_o2(e) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

EX_pi(e) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

EX_pyr(e) EX_succ(e) FBA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

FBP 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 -1 0 0 0 0 0

FORt2 0 0 0 0 0 0 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 1 -1 0 0

FORti 0 0 0 0 0 0 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

FRD7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 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 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0

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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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

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FRUpts2 0 0 0 0 0 0 0 0 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

FUM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0

FUMt2_2 G6PDH2r GAPD 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 0 0 0 0 0 0 0 0 0 0 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 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 -2 0 0 0 0 0

GLCpts 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 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 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

GLNS 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 1 0 -1 0 0 0 0 1 0 0 0

GLNabc 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 1 -1 0 0 0 -1 0 1 0 0 0

GLUDy 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 0 0 -1 0 0 -1 0 1 0 0 0

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GLUN 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 1 0 0 -1 0 0 0 0 0

GLUSy 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 0 2 0 0 0 0 -1 0 0 0

GLUt2r 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 -1 0 0

GND 0 0 0 -1 0 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 0 0 0 0 0 0

H2Ot 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

ICDHyr 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 0 0 0 0 -1 0

ICL 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 -1 0

LDH_D 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 -1

MALS 0 0 0 0 0 0 0 0 0 -1 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 -1 -1 0 1 0 0 0

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0 0 0 0 0 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0

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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

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0 0 0 -1 1 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0

MALt2_2 MDH 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 -2 0 0

ME1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

ME2 0 0 0 0 0 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 0 0 0 0 0 0

NADH16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -4 3 0 0

NADTRHD NH4t 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

O2t 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

PDH 0 0 0 0 0 0 0 0 0 1 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 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 0 0 0 0

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PFK 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 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0

PFL 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 -1 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

PGI 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

PGK 1 0 -1 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 0 0 0 0 0 0 0 0

PGL 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

PGM 0 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

PIt2r 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

PPC 0 0 0 0 0 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 0 1 0 0 0

PPCK 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0

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PPS 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 0 0 0 0 -1 0 2 0 0 0

PTAr 0 0 0 0 0 0 0 0 0 -1 0 1 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 0 0 0 0

PYK 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 0 0 0 0 -1 0 0 0

PYRt2r 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

RPE 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

RPI 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

SUCCt2_2 SUCCt3 SUCDi 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 -2 -1 0 0 0 0

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SUCOAS 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

TALA 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0

THD2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 -2 0 0

TKT1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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

TKT2 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0

TPI 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 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 0 0 0 0 0 1 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 0 0 0 -1 0 0 0 0

0 0 0 1 -1 -1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

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 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0

abbreviation officialName ACALD acetaldehyde dehydrogenase (acetylating) ACALDt acetaldehyde reversible transport ACKr acetate kinase ACONTa aconitase (half-reaction A, Citrate hydro-lyase) ACONTb aconitase (half-reaction B, Isocitrate hydro-lyase) ACt2r acetate reversible transport via proton symport ADK1 adenylate kinase AKGDH 2-Oxogluterate dehydrogenase AKGt2r 2-oxoglutarate reversible transport via symport ALCD2x alcohol dehydrogenase (ethanol) ATPM ATP maintenance requirement ATPS4r ATP synthase (four protons for one ATP) Biomass_Ecoli_core_w/GAM Biomass Objective Function with GAM CO2t CO2 transporter via diffusion CS citrate synthase CYTBD cytochrome oxidase bd (ubiquinol-8: 2 protons) D_LACt2 D-lactate transport via proton symport ENO enolase ETOHt2r ethanol reversible transport via proton symport EX_ac(e) Acetate exchange EX_acald(e) Acetaldehyde exchange EX_akg(e) 2-Oxoglutarate exchange EX_co2(e) CO2 exchange EX_etoh(e) Ethanol exchange EX_for(e) Formate exchange EX_fru(e) D-Fructose exchange EX_fum(e) Fumarate exchange EX_glc(e) D-Glucose exchange EX_gln_L(e) L-Glutamine exchange EX_glu_L(e) L-Glutamate exchange EX_h(e) H+ exchange EX_h2o(e) H2O exchange EX_lac_D(e) D-Lactate exchange EX_mal_L(e) L-Malate exchange EX_nh4(e) Ammonium exchange EX_o2(e) O2 exchange EX_pi(e) Phosphate exchange EX_pyr(e) Pyruvate exchange EX_succ(e) Succinate exchange FBA fructose-bisphosphate aldolase FBP fructose-bisphosphatase FORt2 formate transport via proton symport (uptake only) FORti formate transport via diffusion FRD7 fumarate reductase FRUpts2 Fructose transport via PEP:Pyr PTS (f6p generating)

FUM FUMt2_2 G6PDH2r GAPD GLCpts GLNS GLNabc GLUDy GLUN GLUSy GLUt2r GND H2Ot ICDHyr ICL LDH_D MALS MALt2_2 MDH ME1 ME2 NADH16 NADTRHD NH4t O2t PDH PFK PFL PGI PGK PGL PGM PIt2r PPC PPCK PPS PTAr PYK PYRt2r RPE RPI SUCCt2_2 SUCCt3 SUCDi SUCOAS TALA THD2

fumarase Fumarate transport via proton symport (2 H) glucose 6-phosphate dehydrogenase glyceraldehyde-3-phosphate dehydrogenase D-glucose transport via PEP:Pyr PTS glutamine synthetase L-glutamine transport via ABC system glutamate dehydrogenase (NADP) glutaminase glutamate synthase (NADPH) L-glutamate transport via proton symport, reversible (periplasm) phosphogluconate dehydrogenase H2O transport via diffusion isocitrate dehydrogenase (NADP) Isocitrate lyase D-lactate dehydrogenase malate synthase Malate transport via proton symport (2 H) malate dehydrogenase malic enzyme (NAD) malic enzyme (NADP) NADH dehydrogenase (ubiquinone-8 & 3 protons) NAD transhydrogenase ammonia reversible transport o2 transport via diffusion pyruvate dehydrogenase phosphofructokinase pyruvate formate lyase glucose-6-phosphate isomerase phosphoglycerate kinase 6-phosphogluconolactonase phosphoglycerate mutase phosphate reversible transport via proton symport phosphoenolpyruvate carboxylase phosphoenolpyruvate carboxykinase phosphoenolpyruvate synthase phosphotransacetylase pyruvate kinase pyruvate reversible transport via proton symport ribulose 5-phosphate 3-epimerase ribose-5-phosphate isomerase succinate transport via proton symport (2 H) succinate transport out via proton antiport succinate dehydrogenase (irreversible) succinyl-CoA synthetase (ADP-forming) transaldolase NAD(P) transhydrogenase

TKT1 TKT2 TPI

transketolase transketolase triose-phosphate isomerase

equation subSystem proteinClass [c] : acald + coa + nad accoa + h + nadh Pyruvate Metabolism 1.2.1.10 acald[e] acald[c] Transport, Extracellular [c] : ac + atp actp + adp Pyruvate Metabolism 2.7.2.1 [c] : cit acon-C + h2o Citric Acid Cycle 4.2.1.3 [c] : acon-C + h2o icit Citric Acid Cycle 4.2.1.3 ac[e] + h[e] ac[c] + h[c] Transport, Extracellular [c] : amp + atp (2) adp Oxidative Phosphorylation 2.7.4.3 [c] : akg + coa + nad --> co2 + nadh + succoa Citric Acid Cycle akg[e] + h[e] akg[c] + h[c] Transport, Extracellular [c] : etoh + nad acald + h + nadh Pyruvate Metabolism 1.1.1.1 [c] : atp + h2o --> adp + h + pi Oxidative Phosphorylation adp[c] + (4) h[e] + pi[c] atp[c] + (3) h[c] + h2o[c] Oxidative Phosphorylation 3.6.3.14 [c] : (1.496) 3pg + (3.7478) accoa + (59.8100) atp + (0.3610) e4p + (0.0709) f6p + (0.1290) g3p + (0.2050) g6p + (0.2557) gln-L co2[e] co2[c] Transport, Extracellular [c] : accoa + h2o + oaa --> cit + coa + h Citric Acid Cycle (2) h[c] + (0.5) o2[c] + q8h2[c] --> (2) h[e] + h2o[c] + q8[c] Oxidative Phosphorylation h[e] + lac-D[e] h[c] + lac-D[c] Transport, Extracellular [c] : 2pg h2o + pep Glycolysis/Gluconeogenesis 4.2.1.11 etoh[e] + h[e] etoh[c] + h[c] Transport, Extracellular [e] : ac Exchange [e] : acald Exchange [e] : akg Exchange [e] : co2 Exchange [e] : etoh Exchange [e] : for Exchange [e] : fru Exchange [e] : fum Exchange [e] : glc-D Exchange [e] : gln-L Exchange [e] : glu-L Exchange [e] : h Exchange [e] : h2o Exchange [e] : lac-D Exchange [e] : mal-L Exchange [e] : nh4 Exchange [e] : o2 Exchange [e] : pi Exchange [e] : pyr Exchange [e] : succ Exchange [c] : fdp dhap + g3p Glycolysis/Gluconeogenesis 4.1.2.13 [c] : fdp + h2o --> f6p + pi Glycolysis/Gluconeogenesis 3.1.3.11 for[e] + h[e] --> for[c] + h[c] Transport, Extracellular for[c] --> for[e] Transport, Extracellular [c] : fum + q8h2 --> q8 + succ Oxidative Phosphorylation 1.3.99.1 fru[e] + pep[c] --> f6p[c] + pyr[c] Transport, Extracellular

[c] : fum + h2o mal-L fum[e] + (2) h[e] --> fum[c] + (2) h[c] [c] : g6p + nadp 6pgl + h + nadph [c] : g3p + nad + pi 13dpg + h + nadh glc-D[e] + pep[c] --> g6p[c] + pyr[c] [c] : atp + glu-L + nh4 --> adp + gln-L + h + pi atp[c] + gln-L[e] + h2o[c] --> adp[c] + gln-L[c] + h[c] + pi[c] [c] : glu-L + h2o + nadp akg + h + nadph + nh4 [c] : gln-L + h2o --> glu-L + nh4 [c] : akg + gln-L + h + nadph --> (2) glu-L + nadp glu-L[e] + h[e] glu-L[c] + h[c] [c] : 6pgc + nadp --> co2 + nadph + ru5p-D h2o[e] h2o[c] [c] : icit + nadp akg + co2 + nadph [c] : icit --> glx + succ [c] : lac-D + nad h + nadh + pyr [c] : accoa + glx + h2o --> coa + h + mal-L (2) h[e] + mal-L[e] --> (2) h[c] + mal-L[c] [c] : mal-L + nad h + nadh + oaa [c] : mal-L + nad --> co2 + nadh + pyr [c] : mal-L + nadp --> co2 + nadph + pyr (4) h[c] + nadh[c] + q8[c] --> (3) h[e] + nad[c] + q8h2[c] [c] : nad + nadph --> nadh + nadp nh4[e] nh4[c] o2[e] o2[c] [c] : coa + nad + pyr --> accoa + co2 + nadh [c] : atp + f6p --> adp + fdp + h [c] : coa + pyr --> accoa + for [c] : g6p f6p [c] : 3pg + atp 13dpg + adp [c] : 6pgl + h2o --> 6pgc + h [c] : 2pg 3pg h[e] + pi[e] h[c] + pi[c] [c] : co2 + h2o + pep --> h + oaa + pi [c] : atp + oaa --> adp + co2 + pep [c] : atp + h2o + pyr --> amp + (2) h + pep + pi [c] : accoa + pi actp + coa [c] : adp + h + pep --> atp + pyr h[e] + pyr[e] h[c] + pyr[c] [c] : ru5p-D xu5p-D [c] : r5p ru5p-D (2) h[e] + succ[e] --> (2) h[c] + succ[c] h[e] + succ[c] --> h[c] + succ[e] [c] : q8 + succ --> fum + q8h2 [c] : atp + coa + succ adp + pi + succoa [c] : g3p + s7p e4p + f6p (2) h[e] + nadh[c] + nadp[c] --> (2) h[c] + nad[c] + nadph[c]

Citric Acid Cycle 4.2.1.2 Transport, Extracellular Pentose Phosphate Pathway 1.1.1.49 Glycolysis/Gluconeogenesis 1.2.1.12 Transport, Extracellular Glutamate Metabolism 6.3.1.2 Transport, Extracellular Glutamate Metabolism 1.4.1.4 Glutamate Metabolism 3.5.1.2 Glutamate Metabolism 1.4.1.13 Transport, Extracellular Pentose Phosphate Pathway 1.1.1.44 Transport, Extracellular Citric Acid Cycle 1.1.1.42 Anaplerotic reactions 4.1.3.1 Pyruvate Metabolism 1.1.1.28 Anaplerotic reactions 4.1.3.2 Transport, Extracellular Citric Acid Cycle 1.1.1.37 Anaplerotic reactions 1.1.1.38 Anaplerotic reactions 1.1.1.40 Oxidative Phosphorylation 1.6.5.3 Oxidative Phosphorylation 1.6.1.2 Inorganic Ion Transport and Metabolism Transport, Extracellular Glycolysis/Gluconeogenesis Glycolysis/Gluconeogenesis 2.7.1.11 Pyruvate Metabolism Glycolysis/Gluconeogenesis 5.3.1.9 Glycolysis/Gluconeogenesis 2.7.2.3 Pentose Phosphate Pathway 3.1.1.31 Glycolysis/Gluconeogenesis 5.4.2.1 Inorganic Ion Transport and Metabolism Anaplerotic reactions 4.1.1.31 Anaplerotic reactions 4.1.1.49 Glycolysis/Gluconeogenesis 2.7.9.2 Pyruvate Metabolism 2.3.1.8 Glycolysis/Gluconeogenesis 2.7.1.40 Transport, Extracellular Pentose Phosphate Pathway 5.1.3.1 Pentose Phosphate Pathway 5.3.1.6 Transport, Extracellular Transport, Extracellular Oxidative Phosphorylation 1.3.99.1 Citric Acid Cycle 6.2.1.5 Pentose Phosphate Pathway 2.2.1.2 Oxidative Phosphorylation 1.6.1.1

[c] : r5p + xu5p-D g3p + s7p [c] : e4p + xu5p-D f6p + g3p [c] : dhap g3p

Pentose Phosphate Pathway Pentose Phosphate Pathway Glycolysis/Gluconeogenesis

2.2.1.1 2.2.1.1 5.3.1.1

delta G (pH 7.2)

Keq

vss (Gur = -10, O2ur = -1000)

vss (Gur = -10, O2ur = 0)

1.66E+03 0 -8.2798 1.00E+00 0 0 4.3 7.1204E-04 0 -8.5032 1.5 7.98E-02 6.0072 0.2284 -0.2 1.40E+00 6.0072 0.2284 0.0 1.0000E+00 0 -8.5032 -0.1 1.1836E+00 0 0 -8.3 1.1896E+06 5.0644 0 0.0 1.0000E+00 0 0 6.0 4.06E-05 0 -8.2798 -6.6 6.7770E+04 8.39 8.39 6.6 1.4756E-05 45.514 -5.4518 050) g6p + (0.2557) gln-L + (4.9414) glu-L + (59.8100) h2o + (3.5470) nad + (13.0279) nadph + (1.7867) oaa + (0.5191) pep + (2.8328) pyr + 0.8739 0.2117 0.0 1.0000E+00 -22.8098 0.3775 -8.6 1.9724E+06 6.0072 0.2284 -37.2 1.6962E+27 43.5989 0 0.0 1.0000E+00 0 0 -0.9 4.5580E+00 14.7161 19.1207 0.0 1.0000E+00 0 -8.2798 0 8.5032 0 0 0 0 22.8098 -0.3775 0 8.2798 0 17.804 0 0 0 0 -10 -10 0 0 0 0 17.5309 30.5532 29.1758 -7.1155 0 0 0 0 -4.7653 -1.1542 -21.7995 0 -3.2149 -0.7786 0 0 0 0 4.2 8.4276E-04 7.4774 9.7895 -2.8 1.1208E+02 0 0 0.0 1.00E+00 0 0 0.0 1.00E+00 0 17.804 5.9 4.80116E-05 0 0 -9.1 4.58E+06 0 0

-4.4 0.0

-0.6 0.0 -1.6 -0.1 -9.1 -1.7 -6.6 9.3 -4.9 -14.2 0.0 0.9 0.0 3.4 4.9 6.4 -8.7

0.06.4 1.3 1.6

-17.4-0.3 0.0 0.0 -8.3 -3.8 -5.1 -0.8 2.8 -5.1 0.0 0.0 -6.8 0.2 -1.2 3.8 -5.3 0.0 0.0 0.5 0.0 0.0

-2.1-1.0 -1.7 0.3

2.7491E+00 1.0000E+00 1.4831E+01 1.1836E+00 4.5812E+06 1.7553E+01 6.7770E+04 1.5582E-07 3.8608E+03 2.4777E+10 1.0000E+00 2.1939E-01 1.0000E+00 3.2455E-03 2.5901E-04 2.0671E-05 2.3345E+06 1.00E+00 2.0671E-05 1.1180E-01 6.7428E-02 5.45E+12 1.6580E+00 1.0000E+00 1.0000E+00 1.1896E+06 6.0465E+02 5.4085E+03 3.8511E+00 8.9221E-03 5.4085E+03 1.0000E+00 1.0000E+00 9.4936E+04 7.1385E-01 7.5574E+00 1.6538E-03 7.5765E+03 1.0000E+00 1.0000E+00 4.3054E-01 1.0000E+00 1.0000E+00 34.44673879 5.3948E+00 1.7553E+01 6.0313E-01

5.0644 0 4.96 16.0235 10 0.2235 0 -4.5419 0 0 0 4.96 -29.1758 6.0072 0 0 0 0 5.0644 0 0 38.5346 0 4.7653 21.7995 9.2825 7.4774 0 4.8609 -16.0235 4.96 -14.7161 3.2149 2.5043 0 0 0 1.7582 0 2.6785 -2.2815 0 0 5.0644 -5.0644 1.497 0

0 0 0 19.4373 10 0.0541 0 -1.1 0 0 0 0 7.1155 0.2284 0 0 0 0 0 0 0 0 0 1.1542 0 0.0007 9.7895 17.804 9.9566 -19.4373 0 -19.1207 0.7786 0.6065 0 0 8.5032 8.4043 0 -0.1521 -0.1521 0 0 0 0 -0.0379 3.6292

1.9 -1.7 1.4

4.0667E-02 1.7553E+01 9.4457E-02

1.497 1.1815 7.4774

-0.0379 -0.1143 9.7895

proteinGeneAssociation geneAssociation ( MhpF (b0351) ) or ( AdhE (b1241) ) ( b0351 or b1241 ) SPONTANEOUS (s0001) s0001 ( TdcD (b3115) ) or ( AckA (b2296) ) or ( PurT (b1849) ) ( b3115 or b2296 or b1849 ) ( AcnB (b0118) ) or ( AcnA (b1276) ) ( b0118 or b1276 ) ( AcnB (b0118) ) or ( AcnA (b1276) ) ( b0118 or b1276 ) Adk (b0474) b0474 ( LpdA (b0116) and SucAec (b0726) and SucBec (b0727) ) and b0726 and b0727 ) ( b0116 KgtPec (b2587) b2587 ( FrmA (b0356) ) or ( AdhP (b1478) ) or ( AdhE (b1241) ) or b1478 or b1241 ) ( b0356

( AtpF0 ( b3736 and b3737 and b3738 ) and AtpF1 (( b3731 andand b3737 b3733 and b3734 and b3735 ) ) b3732 and b3736 ( ( b3736 b3732 and and b3738 ) and ( b3731 and or ( AtpF0 ( b3733 SPONTANEOUS (s0001) s0001 GltA (b0720) b0720 ( CbdAB ( b0978 and b0979 ) ) or ( CydA ( b0733 and(b0734 ) and b0979 ) or ( b0733 and b0734 ) ) ( b0978 ) ( LldP (b3603) ) or ( GlcA (b2975) ) ( b3603 or b2975 ) Eno (b2779) b2779

( FbaB (b2097) ) or ( B1773 (b1773) ) or ( FbaA (b2925) ) or b1773 or b2925 ) ( b2097 ( GlpX (b3925) ) or ( Fbp (b4232) ) ( b3925 or b4232 ) ( FocA (b0904) ) or ( FocB (b2492) ) ( b0904 or b2492 ) ( FocA (b0904) ) or ( FocB (b2492) ) ( b0904 or b2492 ) Frd ( b4151 and b4152 and b4153 and b4154 ) ( b4151 and b4152 and b4153 and b4154 ) ( ManX (b1817) and ManY (b1818) and ManZ (b1819) and and b1818 and b1819 and b2415 and b2416 ) ( b1817 PtsH (b2415) and PtsI (b2416) )

( FumA (b1612) ) or ( FumB (b4122) ) or ( FumCec (b1611) ) b4122 or b1611 ) ( b1612 or DctA (b3528) b3528 Zwf (b1852) b1852 GapA (b1779) b1779 ( Crr (b2417) and PtsG (b1101) and PtsH (b2415) and PtsI (b2416) ) or ( ManX (b1817) and ManY (b1818) and ManZ (b181 ( ( b2417 and b1101 and b2415 and b2416 ) or ( b1817 and b1818 a ( GlnA (b3870) ) or ( YcjK (b1297) ) ( b3870 or b1297 ) ( GlnHec (b0811) and GlnPec (b0810) and GlnQec (b0809) ) ( b0811 and b0810 and b0809 ) GdhA (b1761) b1761 ( PabBec (b1812) ) or ( YbaS (b0485) ) or ( YneH (b1524) ) or b0485 or b1524 ) ( b1812 GltB ( b3212 and b3213 ) ( b3212 and b3213 ) GltP (b4077) b4077 Gnd (b2029) b2029 ( AqpZ (b0875) ) or ( SPONTANEOUS (s0001) ) ( b0875 or s0001 ) Icd (b1136) b1136 AceA (b4015) b4015 ( Dld (b2133) ) or ( Ldh (b1380) ) ( b2133 or b1380 ) ( AceB (b4014) ) or ( GlcB (b2976) ) ( b4014 or b2976 ) DctA (b3528) b3528 Mdh (b3236) b3236 Sfc (b1479) b1479 Mae (b2463) b2463 Nuo ( b2276 and b2277 and b2278 and b2279 and b2280 and b2281 andand b2278 b2283 and b2284b2280 and and b2286 ( b2276 and b2277 b2282 and and b2279 and and b2285 b2281 and ( SthA (b3962) ) or ( Pnt ( b1602 and b1603 ) ) ( b3962 or ( b1602 and b1603 ) ) ( SPONTANEOUS (s0001) ) or ( AmtB (b0451) ) ( s0001 or b0451 ) SPONTANEOUS (s0001) s0001 ( AceEec (b0114) and AceFec (b0115) and LpdA (b0116) ) and b0115 and b0116 ) ( b0114 ( PfkA (b3916) ) or ( PfkB (b1723) ) ( b3916 or b1723 ) ( PflBec ( b0902 and b0903 ) and YfiD (b2579) ) or ( PflBec ( b0902 and b0903 ) )b2579 ) or (( b0902 and b3114 )) )or ( PflDe ( ( b0902 and b0903 ) and or ( TdcEec b0902 and b0903 or b090 Pgi (b4025) b4025 Pgk (b2926) b2926 Pgl (b0767) b0767 ( YibO (b3612) ) or ( GpmB (b4395) ) or ( GpmA (b0755) ) or b4395 or b0755 ) ( b3612 ( PitBec (b2987) ) or ( PitA (b3493) ) ( b2987 or b3493 ) Ppc (b3956) b3956 Pck (b3403) b3403 Ppsa (b1702) b1702 ( Pta (b2297) ) or ( EutD (b2458) ) ( b2297 or b2458 ) ( Pyka (b1854) ) or ( Pykf (b1676) ) ( b1854 or b1676 ) ( Rpeec (b3386) ) or ( SgcE (b4301) ) ( RpiA (b2914) ) or ( RpiB (b4090) ) DctA (b3528) Sdh ( b0721 and b0722 and b0723 and b0724 ) SucCD ( b0728 and b0729 ) ( TalA (b2464) ) or ( TalB (b0008) ) Pnt ( b1602 and b1603 ) ( b3386 or b4301 ) ( b2914 or b4090 ) b3528 ( b0721 ( b0728 ( b2464 ( b1602 and b0722 and b0723 and b0724 ) and b0729 ) or b0008 ) and b1603 )

( TktA (b2935) ) or ( TktB (b2465) ) ( TktA (b2935) ) or ( TktB (b2465) ) Tpi (b3919)

( b2935 or b2465 ) ( b2935 or b2465 ) b3919

proteinAssociation ( MhpF ) or ( AdhE ) SPONTANEOUS ( TdcD ) or ( AckA ) or ( PurT ) ( AcnB ) or ( AcnA ) ( AcnB ) or ( AcnA ) Adk ( LpdA and SucAec and SucBec ) KgtPec ( FrmA ) or ( AdhP ) or ( AdhE ) ( AtpF0 and AtpF1 ) or ( AtpF0 and AtpF1 and AtpI ) SPONTANEOUS GltA ( CbdAB ) or ( CydA ) ( LldP ) or ( GlcA ) Eno

( FbaB ) or ( B1773 ) or ( FbaA ) ( GlpX ) or ( Fbp ) ( FocA ) or ( FocB ) ( FocA ) or ( FocB ) Frd ( ManX and ManY and ManZ and PtsH and PtsI )

( FumA ) or ( FumB ) or ( FumCec ) DctA Zwf GapA ( Crr and PtsG and PtsH and PtsI ) or ( ManX and ManY and ManZ and PtsH and PtsI ) or ( Crr and MalX and PtsH and PtsI ) ( GlnA ) or ( YcjK ) ( GlnHec and GlnPec and GlnQec ) GdhA ( PabBec ) or ( YbaS ) or ( YneH ) GltB GltP Gnd ( AqpZ ) or ( SPONTANEOUS ) Icd AceA ( Dld ) or ( Ldh ) ( AceB ) or ( GlcB ) DctA Mdh Sfc Mae Nuo ( SthA ) or ( Pnt ) ( SPONTANEOUS ) or ( AmtB ) SPONTANEOUS ( AceEec and AceFec and LpdA ) ( PfkA ) or ( PfkB ) ( PflBec and YfiD ) or ( PflBec ) or ( TdcEec ) or ( PflDec ) Pgi Pgk Pgl ( YibO ) or ( GpmB ) or ( GpmA ) ( PitBec ) or ( PitA ) Ppc Pck Ppsa ( Pta ) or ( EutD ) ( Pyka ) or ( Pykf ) ( Rpeec ) or ( SgcE ) ( RpiA ) or ( RpiB ) DctA Sdh SucCD ( TalA ) or ( TalB ) Pnt

( TktA ) or ( TktB ) ( TktA ) or ( TktB ) Tpi

MalX and PtsH and PtsI )

abbreviation

min

max

objective

ACALD -1000 ACALDt -1000 ACKr -1000 ACONTa -1000 ACONTb -1000 ACt2r -1000 ADK1 -1000 AKGDH 0 AKGt2r -1000 ALCD2x -1000 ATPM 8.39 ATPS4r -1000 Biomass_Ecoli_core_w/GAM 0 CO2t -1000 CS 0 CYTBD 0 D-LACt2 -1000 ENO -1000 ETOHt2r -1000 EX_ac(e) 0 EX_acald(e) 0 EX_akg(e) 0 EX_co2(e) -1000 EX_etoh(e) 0 EX_for(e) 0 EX_fru(e) 0 EX_fum(e) 0 EX_glc(e) -10 EX_gln_L(e) 0 EX_glu_L(e) 0 EX_h(e) -1000 EX_h2o(e) -1000 EX_lac_D(e) 0 EX_mal_L(e) 0 EX_nh4(e) -1000 EX_o2(e) -1000 EX_pi(e) -1000 EX_pyr(e) 0 EX_succ(e) 0 FBA -1000 FBP 0 FORt2 0 FORti 0 FRD7 0 FRUpts2 0 FUM -1000

1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000

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 0 0 0 0 0 0 0 0 0 0 0 0

FUMt2_2 G6PDH2r GAPD GLCpts GLNS GLNabc GLUDy GLUN GLUSy GLUt2r GND H2Ot ICDHyr ICL LDH_D MALS MALt2_2 MDH ME1 ME2 NADH16 NADTRHD NH4t O2t PDH PFK PFL PGI PGK PGL PGM PIt2r PPC PPCK PPS PTAr PYK PYRt2r RPE RPI SUCCt2_2 SUCCt3 SUCDi SUCOAS TALA THD2 TKT1

0 -1000 -1000 0 0 0 -1000 0 0 -1000 0 -1000 -1000 0 -1000 0 0 -1000 0 0 0 0 -1000 -1000 0 0 0 -1000 -1000 0 -1000 -1000 0 0 0 -1000 0 -1000 -1000 -1000 0 0 0 -1000 -1000 0 -1000

1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000 1000

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

TKT2 TPI

-1000 -1000

1000 1000

0 0

abbreviation officialName 13dpg 3-Phospho-D-glyceroyl phosphate 2pg D-Glycerate 2-phosphate 3pg 3-Phospho-D-glycerate 6pgc 6-Phospho-D-gluconate 6pgl 6-phospho-D-glucono-1,5-lactone ac Acetate ac[e] Acetate (extracellular) acald Acetaldehyde acald[e] Acetaldehyde (extracellular) accoa Acetyl-CoA acon-C cis-Aconitate actp Acetyl phosphate adp ADP akg 2-Oxoglutarate akg[e] 2-Oxoglutarate (extracellular) amp AMP atp ATP cit Citrate co2 CO2 co2[e] CO2 (extracellular) coa Coenzyme A dhap Dihydroxyacetone phosphate e4p D-Erythrose 4-phosphate etoh Ethanol etoh[e] Ethanol (extracellular) f6p D-Fructose 6-phosphate fdp D-Fructose 1,6-bisphosphate for Formate for[e] Formate (extracellular) fru[e] D-Fructose (extracellular) fum Fumarate fum[e] Fumarate (extracellular) g3p Glyceraldehyde 3-phosphate g6p D-Glucose 6-phosphate glc-D[e] D-Glucose (extracellular) gln-L L-Glutamine gln-L[e] L-Glutamine (extracellular) glu-L L-Glutamate glu-L[e] L-Glutamate (extracellular) glx Glyoxylate h2o H2O h2o[e] H2O (extracellular) h H+ h[e] H+ (extracellular) icit Isocitrate lac-D D-Lactate

formula charge C3H4O10P2 C3H4O7P C3H4O7P C6H10O10P C6H9O9P C2H3O2 C2H3O2 C2H4O C2H4O C23H34N7O17P3S C6H3O6 C2H3O5P C10H12N5O10P2 C5H4O5 C5H4O5 C10H12N5O7P C10H12N5O13P3 C6H5O7 CO2 CO2 C21H32N7O16P3S C3H5O6P C4H7O7P C2H6O C2H6O C6H11O9P C6H10O12P2 CH1O2 CH1O2 C6H12O6 C4H2O4 C4H2O4 C3H5O6P C6H11O9P C6H12O6 C5H10N2O3 C5H10N2O3 C5H8NO4 C5H8NO4 C2H1O3 H2O H2O H H C6H5O7 C3H5O3

-4 -3 -3 -3 -2 -1 -1 0 0 -4 -3 -2 -3 -2 -2 -2 -4 -3 0 0 -4 -2 -2 0 0 -2 -4 -1 -1 0 -2 -2 -2 -2 0 0 0 -1 -1 -1 0 0 1 1 -3 -1

casNumber 38168-82-0 None None None None 71-50-1 71-50-1 75-07-0 75-07-0 72-89-9 585-84-2 19926-71-7 58-64-0 328-50-7 328-50-7 61-19-8 56-65-5 77-92-9 124-38-9 124-38-9 85-61-0 57-04-5 585-18-2 64-17-5 64-17-5 643-13-0 488-69-7 64-18-6 64-18-6 57-48-7 110-17-8 110-17-8 142-10-9 56-73-5 50-99-7 56-85-9 56-85-9 56-86-0 56-86-0 298-12-4 7732-18-5 7732-18-5 12408-02-5 12408-02-5 30810-51-6 10326-41-7

lac-D[e] mal-L mal-L[e] nad nadh nadp nadph nh4 nh4[e] o2 o2[e] oaa pep pi pi[e] pyr pyr[e] q8 q8h2 r5p ru5p-D s7p succ succ[e] succoa xu5p-D

D-Lactate (extracellular) C3H5O3 L-Malate C4H4O5 L-Malate (extracellular) C4H4O5 Nicotinamide adenine dinucleotide C21H26N7O14P2 Nicotinamide adenine dinucleotide - reduced C21H27N7O14P2 Nicotinamide adenine dinucleotide phosphate C21H25N7O17P3 Nicotinamide adenine dinucleotide phosphate - reduced C21H26N7O17P3 Ammonium H4N Ammonium (extracellular) H4N O2 O2 O2 (extracellular) O2 Oxaloacetate C4H2O5 Phosphoenolpyruvate C3H2O6P Phosphate HO4P Phosphate (extracellular) HO4P Pyruvate C3H3O3 Pyruvate (extracellular) C3H3O3 Ubiquinone-8 C49H74O4 Ubiquinol-8 C49H76O4 alpha-D-Ribose 5-phosphate C5H9O8P D-Ribulose 5-phosphate C5H9O8P Sedoheptulose 7-phosphate C7H13O10P Succinate C4H4O4 Succinate (extracellular) C4H4O4 Succinyl-CoA C25H35N7O19P3S D-Xylulose 5-phosphate C5H9O8P

-1 -2 -2 -1 -2 -3 -4 1 1 0 0 -2 -3 -2 -2 -1 -1 0 0 -2 -2 -2 -2 -2 -5 -2

10326-41-7 97-67-6 97-67-6 53-84-9 58-68-4 53-59-8 2646-71-1 14798-03-9 14798-03-9 7782-44-7 7782-44-7 328-42-7 138-08-9 14265-44-2 14265-44-2 127-17-3 127-17-3 1339-63-5 56275-39-9 4300-28-1 4151-19-3 None 110-15-6 110-15-6 604-98-8 None

formulaNeutral C3H8O10P2 C3H7O7P C3H7O7P C6H13O10P C6H11O9P C2H4O2 C2H4O2

C23H38N7O17P3S C6H6O6 C2H5O5P C10H15N5O10P2 C5H6O5 C5H6O5 C10H14N5O7P C10H16N5O13P3 C6H8O7

C21H36N7O16P3S C3H7O6P C4H9O7P

C6H13O9P C6H14O12P2 CH2O2 CH2O2 C4H4O4 C4H4O4 C3H7O6P C6H13O9P C5H10N2O3 C5H10N2O3 C5H9NO4 C5H9NO4 C2H2O3

C6H8O7 C3H6O3

CompoundNames KeggID 1,3-bis-phosphoglycerate/ 3-Phospho-D-glyceroyl phosphate/ (R)-2-Hydroxy-3-(phosphonooxy)-1-mon C00236 2-phosphoglyceric acid/ 2-Phospho-D-glycerate C00631 D-Glycerate 3-phosphate/ 3-Phosphoglycerate/ 3-phosphoglyceric acid C00197 6-phosphogluconic acid/ D-gluconate 6-phosphate C00345 D-Glucono-1,5-lactone 6-phosphate C01236 vinegar/ Ethylic acid/ Vinegar acid/ Methanecarboxylic acid/ Acetic acid/ Ethanoic acid C00033 vinegar/ Ethylic acid/ Vinegar acid/ Methanecarboxylic acid/ Acetic acid/ Ethanoic acid C00033 Ethanal/ Aldehyde C(2)/ acetylaldehyde/ Aceteldehyde/ Acetic aldehyde/ Ethyl aldehyde/ Aldehyde C00084 Ethanal/ Aldehyde C(2)/ acetylaldehyde/ Aceteldehyde/ Acetic aldehyde/ Ethyl aldehyde/ Aldehyde C00084 Acetyl coenzyme A C00024 cis-1,2,3-Propenetricarboxylic acid/ (Z)-1-Propene-1,2,3-tricarboxylic C00417 acid/ cis-Aconitic acid C00227 Adenosine 5'-diphosphate C00008 Oxoglutaric acid/ 2-Ketoglutaric acid/ alpha-Ketoglutarate/ alpha-Ketoglutaric Acid C00026 Oxoglutaric acid/ 2-Ketoglutaric acid/ alpha-Ketoglutarate/ alpha-Ketoglutaric Acid C00026 Adenosine 5'-monophosphate/ Adenylic acid/ Adenylate/ 5'-AMP/ 5'-Adenylic acid/ 5'-Adenosine mon C00020 Adenosine 5'-triphosphate/ 5'-adenylate triphosphate C00002 Citric acid/ 2-Hydroxytricarballylic acid/ 2/ 2-Hydroxy-1/ 3-propanetricarboxylic acid C00158 Carbonic anhydride/ Carbon dioxide C00011 Carbonic anhydride/ Carbon dioxide C00011 CoA/ CoA-SH/ CoASH C00010 Glycerone phosphate C00111 4-phospho D-erythrose C00279 Ethyl alcohol/ Methylcarbinol C00469 Ethyl alcohol/ Methylcarbinol C00469 D-Fructose 6-phosphoric acid/ Neuberg ester/ beta-D-Fructose 6-phosphate C00085 fructose-1,6-bisphosphate/ fructose diphosphate/ beta-D-fructofuranose-1,6-diphosphate/ fbp C00354 Methanoic acid/ Formic acid/ Hydrogencarboxylic acid/ aminic acid C00058 Methanoic acid/ Formic acid/ Hydrogencarboxylic acid/ aminic acid C00058 Levulose/ Fruit sugar/ D-Arabino-hexulose C00095 boletic acid/ allomaleic acid/ Fumaric acid/ Trans-butenedioic acid C00122 boletic acid/ allomaleic acid/ Fumaric acid/ Trans-butenedioic acid C00122 D-glyceraldehyde 3-phosphate/ (2R)-2-Hydroxy-3-(phosphonooxy)-propanal C00661 Glucose 6-phosphate/ Robinson ester/ alpha-D-Glucose 6-phosphateC00092 Grape sugar/ Dextrose/ alpha-D-Glucose/ beta-D-Glucose/ Glucose C00031 L-2-Aminoglutaramic acid/ Gln C00064 L-2-Aminoglutaramic acid/ Gln C00064 L-Glutamic acid/ L-Glutaminic acid/ Glu C00025 L-Glutamic acid/ L-Glutaminic acid/ Glu C00025 Glyoxalate/ Glyoxylic acid/ Acetic acid C00048 Water/ Dihydrogen oxide C00001 Water/ Dihydrogen oxide C00001 Hydrogen Ion/ Proton C00080 Hydrogen Ion/ Proton C00080 Isocitric acid/ 1-Hydroxytricarballylic acid/ 2/ 3-tricarboxylic acid/ 1-Hydroxypropane-1 C00311 (R)-Lactate/ D-Lactic acid/ D-2-Hydroxypropanoic acid/ D-2-Hydroxypropionic acid C00256

C3H6O3 C4H6O5 C4H6O5 C21H28N7O14P2 C21H29N7O14P2 C21H30N7O17P3 H3N H3N

C4H4O5 C3H5O6P H3O4P H3O4P C3H4O3 C3H4O3

C5H11O8P C5H11O8P C7H15O10P C4H6O4 C4H6O4 C25H40N7O19P3S C5H11O8P

(R)-Lactate/ D-Lactic acid/ D-2-Hydroxypropanoic acid/ D-2-Hydroxypropionic acid C00256 (S)-Malate/ L-Apple acid/ L-Malic acid/ L-2-Hydroxybutanedioic acid/ C00149 Malate (S)-Malate/ L-Apple acid/ L-Malic acid/ L-2-Hydroxybutanedioic acid/ C00149 Malate NAD+/ NAD/ beta-Diphosphopyridine Nucleotide/ beta-NAD/ beta-Nicotinamide adenine dinucleotide C00003 DPNH/ NADH C00004 NADP/ beta-Nicotinamide adenine dinucleotide phosphate/ NADP+ C00006 TPNH/ beta-triphosphopyridine nucleotide/ NADPH C00005 NH3 C01342 NH3 C01342 Oxygen/ dioxygen C00007 Oxygen/ dioxygen C00007 Oxalacetic acid/ Oxaloacetic acid/ 2-oxobutanedioic acid/ Oxosuccinic acid C00036 Phosphoenolpyruvic acid/ PEP C00074 Pi/ Orthophosphate/ Phosphoric acid C00009 Pi/ Orthophosphate/ Phosphoric acid C00009 Pyruvic acid/ 2-Oxopropanoate/ 2-Oxopropanoic acid/ Pyroracemic acid/ alpha-Ketopropionic acid/ 2C00022 Pyruvic acid/ 2-Oxopropanoate/ 2-Oxopropanoic acid/ Pyroracemic acid/ alpha-Ketopropionic acid/ 2C00022 Coenzyme Q, CoQ, Q C00399 QH2, CoQH2 C00390 D-Ribose 5-phosphate/ D-Ribose-5-phosphate/ Ribose 5-phosphate C00117 C00199 altro-Heptulose 7-phosphate C00281 Succinic acid/ Butanedionic acid/ Ethylenesuccinic acid C00042 Succinic acid/ Butanedionic acid/ Ethylenesuccinic acid C00042 Succinyl coenzyme A/ succino-1-yl-coenzymeA C00091 C00231