// This model generated automatically from SBML // WARNING: Renamed variable _space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate to xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate due to JSim namespace restrictions // WARNING: Renamed variable _space_4_minus_Hydroxy_minus_2_minus_oxopentanoate to xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate due to JSim namespace restrictions // unit definitions import nsrunit; unit conversion off; // SBML property definitions property sbmlRole=string; property sbmlName=string; property sbmlCompartment=string; // SBML reactions // R05506: Benzoyl_space_acetyl_minus_CoA <=> S_minus_Benzoate_space_coenzyme_space_A Acetyl_minus_CoA // R00750: Acetaldehyde Pyruvate <=> _space_4_minus_Hydroxy_minus_2_minus_oxopentanoate // R02601: _space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate <=> _space_4_minus_Hydroxy_minus_2_minus_oxopentanoate math main { realDomain time second; time.min=0; extern time.max; extern time.delta; // variable definitions real default = 1 L; real uVol = 1 L; real E4_space_2_space_1_space_80 = 0 M; real E4_space_1_space_3_space_39 = 0 M; real E2_space_3_space_1_space_16 = 0 M; real Acetaldehyde(time) M; real xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate(time) M; real xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate(time) M; real Pyruvate(time) M; real S_minus_Benzoate_space_coenzyme_space_A(time) M; real Benzoyl_space_acetyl_minus_CoA(time) M; real Acetyl_minus_CoA(time) M; real R05506(time) katal; extern real R05506.kf; extern real R05506.kb; real R00750(time) katal; extern real R00750.kf; extern real R00750.kb; real R02601(time) katal; extern real R02601.kf; extern real R02601.kb; // equations when (time=time.min) Acetaldehyde = 0; (Acetaldehyde*uVol):time = -1*R00750; when (time=time.min) xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate = 0; (xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate*uVol):time = -1*R02601; when (time=time.min) xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate = 0; (xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate*uVol):time = R00750 + R02601; when (time=time.min) Pyruvate = 0; (Pyruvate*uVol):time = -1*R00750; when (time=time.min) S_minus_Benzoate_space_coenzyme_space_A = 0; (S_minus_Benzoate_space_coenzyme_space_A*uVol):time = R05506; when (time=time.min) Benzoyl_space_acetyl_minus_CoA = 0; (Benzoyl_space_acetyl_minus_CoA*uVol):time = -1*R05506; when (time=time.min) Acetyl_minus_CoA = 0; (Acetyl_minus_CoA*uVol):time = R05506; R05506 = R05506.kf*Benzoyl_space_acetyl_minus_CoA - R05506.kb*S_minus_Benzoate_space_coenzyme_space_A*Acetyl_minus_CoA; R00750 = R00750.kf*Acetaldehyde*Pyruvate - R00750.kb*_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate; R02601 = R02601.kf*_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate - R02601.kb*_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate; // variable properties default.sbmlRole="compartment"; uVol.sbmlRole="compartment"; E4_space_2_space_1_space_80.sbmlRole="species"; E4_space_2_space_1_space_80.sbmlCompartment="uVol"; E4_space_1_space_3_space_39.sbmlRole="species"; E4_space_1_space_3_space_39.sbmlCompartment="uVol"; E2_space_3_space_1_space_16.sbmlRole="species"; E2_space_3_space_1_space_16.sbmlCompartment="uVol"; Acetaldehyde.sbmlRole="species"; Acetaldehyde.sbmlCompartment="uVol"; xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate.sbmlRole="species"; xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate.sbmlName="_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate"; xxx_space_2_minus_Hydroxy_minus_2_space_4_minus_pentadienoate.sbmlCompartment="uVol"; xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate.sbmlRole="species"; xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate.sbmlName="_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate"; xxx_space_4_minus_Hydroxy_minus_2_minus_oxopentanoate.sbmlCompartment="uVol"; Pyruvate.sbmlRole="species"; Pyruvate.sbmlCompartment="uVol"; S_minus_Benzoate_space_coenzyme_space_A.sbmlRole="species"; S_minus_Benzoate_space_coenzyme_space_A.sbmlCompartment="uVol"; Benzoyl_space_acetyl_minus_CoA.sbmlRole="species"; Benzoyl_space_acetyl_minus_CoA.sbmlCompartment="uVol"; Acetyl_minus_CoA.sbmlRole="species"; Acetyl_minus_CoA.sbmlCompartment="uVol"; R05506.sbmlRole="rate"; R05506.kf.sbmlRole="rate"; R05506.kb.sbmlRole="rate"; R00750.sbmlRole="rate"; R00750.kf.sbmlRole="rate"; R00750.kb.sbmlRole="rate"; R02601.sbmlRole="rate"; R02601.kf.sbmlRole="rate"; R02601.kb.sbmlRole="rate"; }