// This model generated automatically from SBML // WARNING: Renamed variable _space_3_minus_Butyn_minus_1_minus_al to xxx_space_3_minus_Butyn_minus_1_minus_al due to JSim namespace restrictions // WARNING: Renamed variable _space_3_minus_Butynoate to xxx_space_3_minus_Butynoate due to JSim namespace restrictions // WARNING: Renamed variable _space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA to xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA due to JSim namespace restrictions // WARNING: Renamed variable _space_2_minus_Acetolactate to xxx_space_2_minus_Acetolactate due to JSim namespace restrictions // WARNING: Renamed variable _space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA to xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA due to JSim namespace restrictions // WARNING: Renamed variable _space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate to xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate 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 // R01976: _space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA => Acetoacetyl_minus_CoA // R05119: _space_3_minus_Butyn_minus_1_minus_al <=> _space_3_minus_Butynoate // R01975: _space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA => Acetoacetyl_minus_CoA // R03050: _space_2_minus_Acetolactate Thiamin_space_diphosphate <=> _space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate // R03026: Crotonoyl_minus_CoA => _space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA // R00410: Acetoacetate => Acetoacetyl_minus_CoA // R01171: Butanoyl_minus_CoA => Crotonoyl_minus_CoA // R00014: Pyruvate Thiamin_space_diphosphate <=> _space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate // R00408: Succinate => Fumarate // R00238: Acetyl_minus_CoA => Acetoacetyl_minus_CoA // R01360: _space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA <=> Acetyl_minus_CoA Acetoacetate 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 E1_space_2_space_1_space_3 = 0 M; real E1_space_3_space_99_space_1 = 0 M; real E2_space_8_space_3_space_5 = 0 M; real E1_space_3_space_99_space_2 = 0 M; real E1_space_1_space_1_space_35 = 0 M; real E4_space_2_space_1_space_17 = 0 M; real E1_space_1_space_1_space_157 = 0 M; real E2_space_2_space_1_space_6 = 0 M; real E2_space_3_space_1_space_9 = 0 M; real E4_space_1_space_3_space_4 = 0 M; real E1_space_2_space_4_space_1 = 0 M; real xxx_space_3_minus_Butyn_minus_1_minus_al(time) M; real xxx_space_3_minus_Butynoate(time) M; real Succinate(time) M; real Acetoacetate(time) M; real Fumarate(time) M; real Butanoyl_minus_CoA(time) M; real Crotonoyl_minus_CoA(time) M; real xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA(time) M; real Acetoacetyl_minus_CoA(time) M; real xxx_space_2_minus_Acetolactate(time) M; real xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA(time) M; real xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate(time) M; real Thiamin_space_diphosphate(time) M; real Pyruvate(time) M; real Acetyl_minus_CoA(time) M; real R01976(time) katal; extern real R01976.kf; extern real R01976.kb; real R05119(time) katal; extern real R05119.kf; extern real R05119.kb; real R01975(time) katal; extern real R01975.kf; extern real R01975.kb; real R03050(time) katal; extern real R03050.kf; extern real R03050.kb; real R03026(time) katal; extern real R03026.kf; extern real R03026.kb; real R00410(time) katal; extern real R00410.kf; extern real R00410.kb; real R01171(time) katal; extern real R01171.kf; extern real R01171.kb; real R00014(time) katal; extern real R00014.kf; extern real R00014.kb; real R00408(time) katal; extern real R00408.kf; extern real R00408.kb; real R00238(time) katal; extern real R00238.kf; extern real R00238.kb; real R01360(time) katal; extern real R01360.kf; extern real R01360.kb; // equations when (time=time.min) xxx_space_3_minus_Butyn_minus_1_minus_al = 0; (xxx_space_3_minus_Butyn_minus_1_minus_al*uVol):time = -1*R05119; when (time=time.min) xxx_space_3_minus_Butynoate = 0; (xxx_space_3_minus_Butynoate*uVol):time = R05119; when (time=time.min) Succinate = 0; (Succinate*uVol):time = -1*R00408; when (time=time.min) Acetoacetate = 0; (Acetoacetate*uVol):time = -1*R00410 + R01360; when (time=time.min) Fumarate = 0; (Fumarate*uVol):time = R00408; when (time=time.min) Butanoyl_minus_CoA = 0; (Butanoyl_minus_CoA*uVol):time = -1*R01171; when (time=time.min) Crotonoyl_minus_CoA = 0; (Crotonoyl_minus_CoA*uVol):time = -1*R03026 + R01171; when (time=time.min) xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA = 0; (xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA*uVol):time = -1*R01976 + -1*R01975 + R03026; when (time=time.min) Acetoacetyl_minus_CoA = 0; (Acetoacetyl_minus_CoA*uVol):time = R01976 + R01975 + R00410 + R00238; when (time=time.min) xxx_space_2_minus_Acetolactate = 0; (xxx_space_2_minus_Acetolactate*uVol):time = -1*R03050; when (time=time.min) xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA = 0; (xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA*uVol):time = -1*R01360; when (time=time.min) xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate = 0; (xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate*uVol):time = R03050 + R00014; when (time=time.min) Thiamin_space_diphosphate = 0; (Thiamin_space_diphosphate*uVol):time = -1*R03050 + -1*R00014; when (time=time.min) Pyruvate = 0; (Pyruvate*uVol):time = -1*R00014; when (time=time.min) Acetyl_minus_CoA = 0; (Acetyl_minus_CoA*uVol):time = -1*R00238 + R01360; R01976 = R01976.kf*_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA - R01976.kb*Acetoacetyl_minus_CoA; R05119 = R05119.kf*_space_3_minus_Butyn_minus_1_minus_al - R05119.kb*_space_3_minus_Butynoate; R01975 = R01975.kf*_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA - R01975.kb*Acetoacetyl_minus_CoA; R03050 = R03050.kf*_space_2_minus_Acetolactate*Thiamin_space_diphosphate - R03050.kb*_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate; R03026 = R03026.kf*Crotonoyl_minus_CoA - R03026.kb*_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA; R00410 = R00410.kf*Acetoacetate - R00410.kb*Acetoacetyl_minus_CoA; R01171 = R01171.kf*Butanoyl_minus_CoA - R01171.kb*Crotonoyl_minus_CoA; R00014 = R00014.kf*Pyruvate*Thiamin_space_diphosphate - R00014.kb*_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate; R00408 = R00408.kf*Succinate - R00408.kb*Fumarate; R00238 = R00238.kf*Acetyl_minus_CoA - R00238.kb*Acetoacetyl_minus_CoA; R01360 = R01360.kf*_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA - R01360.kb*Acetyl_minus_CoA*Acetoacetate; // variable properties default.sbmlRole="compartment"; uVol.sbmlRole="compartment"; E1_space_2_space_1_space_3.sbmlRole="species"; E1_space_2_space_1_space_3.sbmlCompartment="uVol"; E1_space_3_space_99_space_1.sbmlRole="species"; E1_space_3_space_99_space_1.sbmlCompartment="uVol"; E2_space_8_space_3_space_5.sbmlRole="species"; E2_space_8_space_3_space_5.sbmlCompartment="uVol"; E1_space_3_space_99_space_2.sbmlRole="species"; E1_space_3_space_99_space_2.sbmlCompartment="uVol"; E1_space_1_space_1_space_35.sbmlRole="species"; E1_space_1_space_1_space_35.sbmlCompartment="uVol"; E4_space_2_space_1_space_17.sbmlRole="species"; E4_space_2_space_1_space_17.sbmlCompartment="uVol"; E1_space_1_space_1_space_157.sbmlRole="species"; E1_space_1_space_1_space_157.sbmlCompartment="uVol"; E2_space_2_space_1_space_6.sbmlRole="species"; E2_space_2_space_1_space_6.sbmlCompartment="uVol"; E2_space_3_space_1_space_9.sbmlRole="species"; E2_space_3_space_1_space_9.sbmlCompartment="uVol"; E4_space_1_space_3_space_4.sbmlRole="species"; E4_space_1_space_3_space_4.sbmlCompartment="uVol"; E1_space_2_space_4_space_1.sbmlRole="species"; E1_space_2_space_4_space_1.sbmlCompartment="uVol"; xxx_space_3_minus_Butyn_minus_1_minus_al.sbmlRole="species"; xxx_space_3_minus_Butyn_minus_1_minus_al.sbmlName="_space_3_minus_Butyn_minus_1_minus_al"; xxx_space_3_minus_Butyn_minus_1_minus_al.sbmlCompartment="uVol"; xxx_space_3_minus_Butynoate.sbmlRole="species"; xxx_space_3_minus_Butynoate.sbmlName="_space_3_minus_Butynoate"; xxx_space_3_minus_Butynoate.sbmlCompartment="uVol"; Succinate.sbmlRole="species"; Succinate.sbmlCompartment="uVol"; Acetoacetate.sbmlRole="species"; Acetoacetate.sbmlCompartment="uVol"; Fumarate.sbmlRole="species"; Fumarate.sbmlCompartment="uVol"; Butanoyl_minus_CoA.sbmlRole="species"; Butanoyl_minus_CoA.sbmlCompartment="uVol"; Crotonoyl_minus_CoA.sbmlRole="species"; Crotonoyl_minus_CoA.sbmlCompartment="uVol"; xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA.sbmlRole="species"; xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA.sbmlName="_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA"; xxx_space_S_space__minus_3_minus_Hydroxybutanoyl_minus_CoA.sbmlCompartment="uVol"; Acetoacetyl_minus_CoA.sbmlRole="species"; Acetoacetyl_minus_CoA.sbmlCompartment="uVol"; xxx_space_2_minus_Acetolactate.sbmlRole="species"; xxx_space_2_minus_Acetolactate.sbmlName="_space_2_minus_Acetolactate"; xxx_space_2_minus_Acetolactate.sbmlCompartment="uVol"; xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA.sbmlRole="species"; xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA.sbmlName="_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA"; xxx_space_S_space__minus_3_minus_Hydroxy_minus_3_minus_methylglutaryl_minus_CoA.sbmlCompartment="uVol"; xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate.sbmlRole="species"; xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate.sbmlName="_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate"; xxx_space_2_minus__space__alpha__minus_Hydroxyethyl_space_thiamine_space_diphosphate.sbmlCompartment="uVol"; Thiamin_space_diphosphate.sbmlRole="species"; Thiamin_space_diphosphate.sbmlCompartment="uVol"; Pyruvate.sbmlRole="species"; Pyruvate.sbmlCompartment="uVol"; Acetyl_minus_CoA.sbmlRole="species"; Acetyl_minus_CoA.sbmlCompartment="uVol"; R01976.sbmlRole="rate"; R01976.kf.sbmlRole="rate"; R01976.kb.sbmlRole="rate"; R05119.sbmlRole="rate"; R05119.kf.sbmlRole="rate"; R05119.kb.sbmlRole="rate"; R01975.sbmlRole="rate"; R01975.kf.sbmlRole="rate"; R01975.kb.sbmlRole="rate"; R03050.sbmlRole="rate"; R03050.kf.sbmlRole="rate"; R03050.kb.sbmlRole="rate"; R03026.sbmlRole="rate"; R03026.kf.sbmlRole="rate"; R03026.kb.sbmlRole="rate"; R00410.sbmlRole="rate"; R00410.kf.sbmlRole="rate"; R00410.kb.sbmlRole="rate"; R01171.sbmlRole="rate"; R01171.kf.sbmlRole="rate"; R01171.kb.sbmlRole="rate"; R00014.sbmlRole="rate"; R00014.kf.sbmlRole="rate"; R00014.kb.sbmlRole="rate"; R00408.sbmlRole="rate"; R00408.kf.sbmlRole="rate"; R00408.kb.sbmlRole="rate"; R00238.sbmlRole="rate"; R00238.kf.sbmlRole="rate"; R00238.kb.sbmlRole="rate"; R01360.sbmlRole="rate"; R01360.kf.sbmlRole="rate"; R01360.kb.sbmlRole="rate"; }