Simulation ID	Objective	Contraints	Evaluator	Comment	Solution: imports	Solution: exports	c	m	r	p	l	n	s	b	Transport
rephosphorylation of purines and pyrimidines
Aerobic rephosphorylation of ATP from glucose	ATP(c)	-Glucose(s) -Pi(c) -ADP(c) +CO2(s) -O2(s) =H2O(s)	ATP(c) Glucose(s) O2(s)		0.193548 O2(s) 1 ADP(c) 1 Pi(c) 0.0322581 Glucose(s)	1.19354838709677 H2O(s) 0.99999999999997 ATP(c) 0.193548387096774 CO2(s)	12	11	-	-	-	-	-	-	15
Aerobic rephosphorylation of ATP from a fatty acid	ATP(c)	-Palmitate(s) -Pi(c) -ADP(c) +CO2(s) -O2(s) =H2O(s)	ATP(c) Palmitate(s) O2(s)		0.221154 O2(s) 1 ADP(c) 1 Pi(c) 0.00961538 Palmitate(s)	1.15384615384615 H2O(s) 0.99999999999997 ATP(c) 0.153846153846154 CO2(s)	4	39	-	-	-	-	-	-	14
Aerobic rephosphorylation of GTP	GTP(c)	-Glucose(s) -Pi(c) -GDP(c) +CO2(s) -O2(s) =H2O(s)	GTP(c) O2(s)		0.193548 O2(s) 1 Pi(c) 0.0322581 Glucose(s) 1 GDP(c)	1.19354838709677 H2O(s) 0.193548387096774 CO2(s) 0.99999999999997 GTP(c)	12	11	-	-	-	-	-	-	15
Aerobic rephosphorylation of CTP	CTP(c)	-Glucose(s) -Pi(c) -UTP(c) -CDP(c) =Glutamine(s) =Glutamate(s) +CO2(s) -O2(s) =H2O(s)	CTP(c) O2(s)		0.178218 O2(s) 0.881188 Pi(c) 0.0712871 UTP(c) 0.952475 CDP(c)	1 H2O(s) 0.213861386138614 CO2(s) 0.99999999999997 CTP(c)	26	14	-	-	-	-	-	-	17
Aerobic rephosphorylation of UTP	UTP(c)	-Glucose(s) -Pi(c) -UDP(c) +CO2(s) -O2(s) =H2O(s)	UTP(c) O2(s)		0.193548 O2(s) 1 Pi(c) 1 UDP(c) 0.0322581 Glucose(s)	1.19354838709677 H2O(s) 0.193548387096774 CO2(s) 0.99999999999997 UTP(c)	13	11	-	-	-	-	-	-	15
Anaerobic rephosphorylation of ATP	ATP(c)	-Glucose(s) -Pi(c) -ADP(c) +L-Lactate(s) +CO2(s) =H2O(s)	ATP(c) L-Lactate(s)		1 ADP(c) 1 Pi(c) 0.5 Glucose(s)	1 H2O(s) 0.99999999999997 ATP(c) 1 L-Lactate(s)	11	-	-	-	-	-	-	-	5
Anaerobic rephosphorylation of GTP	GTP(c)	-Glucose(s) -Pi(c) -GDP(c) +L-Lactate(s) +CO2(s) =H2O(s)	GTP(c) L-Lactate(s)		1 Pi(c) 0.5 Glucose(s) 1 GDP(c)	1 H2O(s) 0.99999999999997 GTP(c) 1 L-Lactate(s)	12	-	-	-	-	-	-	-	5
Anaerobic rephosphorylation of CTP	CTP(c)	-Glucose(s) -Pi(c) -CDP(c) +L-Lactate(s) +CO2(s) =H2O(s)	CTP(c) L-Lactate(s)		1 Pi(c) 0.5 Glucose(s) 1 CDP(c)	0.999999999999997 H2O(s) 0.99999999999997 CTP(c) 1 L-Lactate(s)	12	-	-	-	-	-	-	-	5
Anaerobic rephosphorylation of UTP	UTP(c)	-Glucose(s) -Pi(c) -UDP(c) +L-Lactate(s) +CO2(s) =H2O(s)	UTP(c) L-Lactate(s)		1 Pi(c) 1 UDP(c) 0.5 Glucose(s)	1 H2O(s) 0.99999999999997 UTP(c) 1 L-Lactate(s)	12	-	-	-	-	-	-	-	5
de-novo synthesis of purines and pyrimidines
ATP	ATP(c)	MIPES	ATP(c)		3.55 O2(s) 3 Pi(s) 1.65 NH3(s) 1.33333 Glucose(s) 1 Histidine(s) 0.35 Valine(s)	9.35 H2O(s) 0.99999999999997 ATP(c) 1.7 CO2(s) 1.35 L-Lactate(s)	46	18	-	-	-	-	-	-	33
CTP	CTP(c)	MIPES	CTP(c)		2.74419 O2(s) 3 Pi(s) 1.54651 NH3(s) 0.908915 Glucose(s) 0.302326 Histidine(s) 0.546512 Valine(s)	8.63953488372093 H2O(s) 1 CO2(s) 0.99999999999997 CTP(c)	37	19	-	-	-	-	-	-	31
GTP	GTP(c)	MIPES	GTP(c)		3.8 O2(s) 3 Pi(s) 1.73333 NH3(s) 1.33333 Glucose(s) 1 Histidine(s) 0.266667 Valine(s)	9.26666666666667 H2O(s) 1.53333333333333 CO2(s) 0.99999999999997 GTP(c) 1.26666666666667 L-Lactate(s)	47	19	-	-	-	-	-	-	31
UTP	UTP(c)	MIPES	UTP(c)		2.51163 O2(s) 3 Pi(s) 0.406977 NH3(s) 0.932171 Glucose(s) 0.395349 Histidine(s) 0.406977 Valine(s)	7.22093023255814 H2O(s) 1 CO2(s) 0.99999999999997 UTP(c)	36	19	-	-	-	-	-	-	31
dATP	dATP(c)	MIPES	dATP(c)		3.45333 O2(s) 3 Pi(s) 0.613333 NH3(s) 1.33333 Glucose(s) 1.38667 Histidine(s) 0.226667 Valine(s)	8.06666666666667 H2O(s) 2.61333333333334 CO2(s) 0.99999999999997 dATP(c) 1.61333333333333 L-Lactate(s)	50	19	-	-	-	-	-	-	32
dCTP	dCTP(c)	MIPES	dCTP(c)		2.63035 O2(s) 3 Pi(s) 0.837224 Glucose(s) 0.953307 Histidine(s) 0.140078 Valine(s)	6.58365758754864 H2O(s) 2.44357976653697 CO2(s) 0.99999999999997 dCTP(c)	35	23	-	-	-	-	-	-	27
dGTP	dGTP(c)	MIPES	dGTP(c)		3.68667 O2(s) 3 Pi(s) 0.546667 NH3(s) 1.33333 Glucose(s) 1.45333 Histidine(s) 0.0933333 Valine(s)	7.73333333333333 H2O(s) 2.54666666666667 CO2(s) 1.54666666666667 L-Lactate(s) 0.99999999999997 dGTP(c)	52	19	-	-	-	-	-	-	32
dTTP	dTTP(c)	MIPES	dTTP(c)		2.74022 O2(s) 3 Pi(s) 1.17202 Glucose(s) 0.645251 Histidine(s) 0.418994 Valine(s)	7.35335195530726 H2O(s) 2.2891061452514 CO2(s) 0.354748603351955 Glycine(s) 0.99999999999997 dTTP(c)	48	23	-	-	-	-	-	-	28
salvage of purines and pyrimidines
ATP salvage from Adenosine	ATP(c)	-Adenosine(c) -Glucose(s) -Pi(s) +CO2(s) -O2(s) =H2O(s)	ATP(c) Adenosine(c)		1.16129 O2(s) 3 Pi(s) 0.193548 Glucose(s) 1 Adenosine(c)	4.16129032258065 H2O(s) 0.99999999999997 ATP(c) 1.16129032258065 CO2(s)	13	12	-	-	-	-	-	-	18
ATP salvage from Hypoxanthine	ATP(c)	-Hypoxanthine(c) -Glucose(s) -Pi(s) -Glutamine(s) +CO2(s) -O2(s) =H2O(s)	ATP(c) Hypoxanthine(c)		1.98387 O2(s) 3 Pi(s) 0.788978 Glucose(s) 0.5 Glutamine(s) 1 Hypoxanthine(c)	5.73387096774193 H2O(s) 0.99999999999997 ATP(c) 2.23387096774193 CO2(s)	26	14	-	-	-	-	-	-	24
dTTP salvage from Thymine	dTTP(c)	-Thymine(c) -Glucose(s) -Pi(s) +CO2(s) -O2(s) =H2O(s)	dTTP(c) Thymine(c)		1.54839 O2(s) 3 Pi(s) 1.17473 Glucose(s) 1 Thymine(c)	6.04838709677419 H2O(s) 2.04838709677421 CO2(s) 0.99999999999997 dTTP(c)	36	12	-	-	-	-	-	-	18
regeneration of NAD(P)H redox potential
Aerobic reduction of NAD+	NADH(c)	-Glucose(s) -NAD+(c) +CO2(s) -O2(s) =H2O(s)	NADH(c) NAD+(c) O2(s)		0.486146 H2O(s) 1 NAD+(c) 0.0138539 O2(s) 0.0856423 Glucose(s)	0.99999999999997 NADH(c) 0.513853904282116 CO2(s)	25	9	-	-	-	-	-	-	17
Aerobic reduction of NADP+	NADPH(c)	-Glucose(s) -NADP+(c) +CO2(s) -O2(s) =H2O(s)	NADPH(c) NADP+(c) O2(s)		0.485714 H2O(s) 1 NADP+(c) 0.0142857 O2(s) 0.0857143 Glucose(s)	0.99999999999997 NADPH(c) 0.514285714285714 CO2(s)	25	8	-	-	-	-	-	-	17
gluconeogenese
Gluconeogenese from Lactate	Glucose(s)	-L-Lactate(s) +CO2(s) -O2(s) =H2O(s)	Glucose(s) L-Lactate(s)		1 O2(s) 2.33333 L-Lactate(s)	0.999999999999999 H2O(s) 0.999999999999998 CO2(s) 0.99999999999997 Glucose(s)	11	12	1	-	-	-	-	-	27
Gluconeogenese from Glycerol	Glucose(s)	-Glycerol(s) +CO2(s) -O2(s) =H2O(s)	Glucose(s) Glycerol(s)		1 O2(s) 2 Glycerol(s)	2 H2O(s) 0.99999999999997 Glucose(s)	5	-	1	-	-	-	-	-	17
Gluconeogenese from Alanine	Glucose(s)	-Alanine(s) +CO2(s) -O2(s) =H2O(s) +Urea(s) -Palmitate(s)	Glucose(s) Alanine(s)		1.65865 O2(s) 2 Alanine(s) 0.0721154 Palmitate(s)	0.153846153846163 H2O(s) 0.153846153846155 CO2(s) 0.99999999999997 Glucose(s) 0.999999999999999 Urea(s)	21	45	1	-	-	-	-	-	27
Gluconeogenese from Lactate and optionally fatty acid	Glucose(s)	-Palmitate(s) -L-Lactate(s) +CO2(s) -O2(s) =H2O(s)	Glucose(s) L-Lactate(s)		0.995192 O2(s) 2 L-Lactate(s) 0.0432692 Palmitate(s)	0.692307692307693 H2O(s) 0.692307692307693 CO2(s) 0.99999999999997 Glucose(s)	14	40	1	-	-	-	-	-	27
Gluconeogenese from Glycerol and optionally fatty acid	Glucose(s)	-Palmitate(s) -Glycerol(s) +CO2(s) -O2(s) =H2O(s)	Glucose(s) Glycerol(s)		1 O2(s) 2 Glycerol(s)	2 H2O(s) 0.99999999999997 Glucose(s)	5	4	1	-	-	-	-	-	15
Gluconeogenese from Alanine and optionally fatty acid	Glucose(s)	-Palmitate(s) -Alanine(s) +Urea(s) +CO2(s) -O2(s) =H2O(s)	Glucose(s) Alanine(s)		1.65865 O2(s) 2 Alanine(s) 0.0721154 Palmitate(s)	0.153846153846163 H2O(s) 0.153846153846155 CO2(s) 0.99999999999997 Glucose(s) 0.999999999999999 Urea(s)	21	45	1	-	-	-	-	-	27
glycogenesis
Storage of glucose in Glycogen	Glycogenin-G4G7(c)	-Glycogenin(c) -Glucose(s) -O2(s) +CO2(s) =H2O(s)	Glycogenin-G4G7(c) Glucose(s)	test the storage of glucose in a glycogen component	4.25806 O2(s) 11.7097 Glucose(s) 1 Glycogenin(c)	15.258064516129 H2O(s) 4.25806451612903 CO2(s) 0.99999999999997 Glycogenin-G4G7(c)	18	11	-	-	-	-	-	-	16
glycogenolysis
Release of glucose from Glycogen	Glucose(s)	-Glycogenin-G4G7(c) +Glycogenin(c) -Glucose(s) -O2(s) +CO2(s) =H2O(s)	Glycogenin-G4G7(c) Glucose(s)	test the release of glucose from a glycogen component	1 H2O(s) 0.0909091 Glycogenin-G4G7(c)	0.99999999999997 Glucose(s) 0.0909090909090909 Glycogenin(c)	5	-	1	-	-	-	-	-	5
sugar degradation
Fructose degradation	-1 Fructose(s)	+ATP(c) -Pi(c) -ADP(c) +L-Lactate(s) +CO2(s) =H2O(s) =NADH(c) =NADPH(c) =NAD+(c) =NADP+(c)	Fructose(s)		1 Fructose(s)	2 L-Lactate(s)	12	-	-	-	-	-	-	-	4
Galactose degradation	-1 Galactose(s)	+ATP(c) -Pi(c) -ADP(c) +L-Lactate(s) +CO2(s) =H2O(s) =NADH(c) =NADPH(c) =NAD+(c) =NADP+(c)	Galactose(s)		1 Galactose(s)	2 L-Lactate(s)	16	-	-	-	-	-	-	-	4
formation of nucleotide-activated sugars
UDP-glucose	UDP-glucose(c)	MIPES	UDP-glucose(c)		2.51163 O2(s) 2 Pi(s) 0.406977 NH3(s) 1.93217 Glucose(s) 0.395349 Histidine(s) 0.406977 Valine(s)	7.22093023255814 H2O(s) 0.999999999999999 CO2(s) 0.99999999999997 UDP-glucose(c)	38	18	-	-	-	-	-	-	33
UDP-galactose	UDP-galactose(c)	MIPES	UDP-galactose(c)		2.51163 O2(s) 2 Pi(s) 0.406977 NH3(s) 1.93217 Glucose(s) 0.395349 Histidine(s) 0.406977 Valine(s)	7.22093023255814 H2O(s) 1 CO2(s) 0.99999999999997 UDP-galactose(c)	38	19	-	-	-	-	-	-	32
UDP-glucuronate	UDP-glucuronate(c)	MIPES	UDP-glucuronate(c)		2.81915 O2(s) 2 Pi(s) 0.0212766 NH3(s) 2.00355 Glucose(s) 0.659574 Histidine(s)	7.02127659574468 H2O(s) 0.97872340425532 CO2(s) 0.99999999999997 UDP-glucuronate(c)	40	11	-	-	-	-	-	-	30
GDP-L-fucose	GDP-L-fucose(c)	MIPES	GDP-L-fucose(c)		3.6 O2(s) 2 Pi(s) 1.63333 NH3(s) 2.33333 Glucose(s) 1 Histidine(s) 0.366667 Valine(s)	9.36666666666667 H2O(s) 1.73333333333333 CO2(s) 1.36666666666667 L-Lactate(s) 0.99999999999997 GDP-L-fucose(c)	51	19	-	-	-	-	-	-	32
GDP-mannose	GDP-mannose(c)	MIPES	GDP-mannose(c)		3.8 O2(s) 2 Pi(s) 1.73333 NH3(s) 2.33333 Glucose(s) 1 Histidine(s) 0.266667 Valine(s)	9.26666666666661 H2O(s) 1.53333333333332 CO2(s) 0.99999999999997 GDP-mannose(c) 1.26666666666666 L-Lactate(s)	49	19	-	-	-	-	-	-	32
UDP-N-acetyl-D-galactosamine	UDP-N-acetyl-D-galactosamine(c)	MIPES	UDP-N-acetyl-D-galactosamine(c)		2.59259 O2(s) 2 Pi(s) 2.1358 NH3(s) 2.0679 Glucose(s) 0.333333 Leucine(s) 0.530864 Valine(s)	10.1975308641975 H2O(s) 0.0617283950617279 CO2(s) 0.99999999999997 UDP-N-acetyl-D-galactosamine(c)	37	25	-	-	-	-	-	-	29
CMP-N-acetylneuraminate	CMP-N-acetylneuraminate(n)	MIPES	CMP-N-acetylneuraminate(n)		3.2037 O2(s) 1 Pi(s) 3.09877 NH3(s) 2.54938 Glucose(s) 0.333333 Leucine(s) 0.567901 Valine(s)	11.2345679012346 H2O(s) 0.135802469135803 CO2(s) 0.99999999999997 CMP-N-acetylneuraminate(n)	43	24	-	-	-	1	-	-	34
formation of aminosugars
N-Acetylglucosamine	N-Acetylglucosamine(c)	MIPES	N-Acetylglucosamine(c)		0.911765 O2(s) 0.705882 NH3(s) 1 Glucose(s) 0.382353 Phenylalanine(s) 0.294118 Ethanolamine(c) 0.0882353 Palmitolate(s)	1.91176470588235 H2O(s) 0.382352941176471 Tyrosine(s) 0.99999999999997 N-Acetylglucosamine(c)	20	30	-	-	-	-	-	-	16
formation of sugars
Glucuronate	Glucuronate(c)	MIPES	Glucuronate(c)		1.21327 O2(s) 1 Glucose(s) 0.00947867 Palmitolate(s)	1.14218009478673 H2O(s) 0.151658767772512 CO2(s) 0.99999999999997 Glucuronate(c)	11	39	-	-	-	-	-	-	16
formation of non-essential amino acids
Alanine	Alanine(c)	MIMES	Alanine(c)	test that cytosolic Alanine can be produced from the minimal exchange set	0.440934 O2(s) 0.387585 NH3(s) 0.359529 Glucose(s) 0.0849915 Phenylalanine(s) 0.161205 Histidine(s) 0.0438083 Ethanolamine(c)	0.241165695736562 H2O(s) 0.636977488118277 CO2(s) 0.99999999999997 Alanine(c) 0.016467340925347 Arachidonate(s)	116	54	5	-	-	-	-	-	38
Arginine	Arginine(c)	MIMES	Arginine(c)	test that cytosolic Arginine can be produced from the minimal exchange set	1.13602 O2(s) 1.23372 NH3(s) 0.766284 Histidine(s) 0.467433 Valine(s)	0.869731800766282 H2O(s) 0.934865900383142 CO2(s) 0.99999999999997 Arginine(c)	16	27	-	-	-	-	-	-	26
Asparagine	Asparagine(c)	MIMES	Asparagine(c)	test that cytosolic Asparagine can be produced from the minimal exchange set	0.744186 O2(s) 0.883721 NH3(s) 0.313953 Glucose(s) 0.372093 Histidine(s)	0.883720930232559 H2O(s) 0.116279069767442 CO2(s) 0.99999999999997 Asparagine(c)	24	8	-	-	-	-	-	-	25
Aspartate	Aspartate(c)	MIMES	Aspartate(c)	test that cytosolic Aspartate can be produced from the minimal exchange set	0.79059 O2(s) 0.346085 NH3(s) 0.353455 Glucose(s) 0.145779 Phenylalanine(s) 0.167373 Histidine(s) 0.00601773 Ethanolamine(c)	0.311071356330975 H2O(s) 0.99999999999997 Aspartate(c) 0.0149004641747403 Cholesterol(b) 0.00226203547046112 Arachidonate(s)	114	50	21	6	-	-	-	-	49
Cysteine	Cysteine(c)	MIMES	Cysteine(c)	test that cytosolic Cysteine can be produced from the minimal exchange set	3.19727 O2(s) 0.397796 Glucose(s) 1 Methionine(s) 0.257722 Ethanolamine(c)	3.00976401743933 H2O(s) 2.77335945262326 CO2(s) 0.128860958661523 Urea(s) 0.99999999999997 Cysteine(c) 0.0968764045648161 Arachidonate(s)	112	51	5	-	-	-	-	-	40
Cystine	Cystine(c)	MIMES	Cystine(c)	test that cytosolic Cystine can be produced from the minimal exchange set	6.89454 O2(s) 0.795592 Glucose(s) 2 Methionine(s) 0.515444 Ethanolamine(c)	7.01952803487865 H2O(s) 5.54671890524653 CO2(s) 0.257721917323045 Urea(s) 0.193752809129632 Arachidonate(s) 0.99999999999997 Cystine(c)	113	51	6	-	-	-	-	-	41
Glutamate	Glutamate(c)	MIMES	Glutamate(c)	test that cytosolic Glutamate can be produced from the minimal exchange set	0.685427 O2(s) 0.091331 Glucose(s) 0.177725 Phenylalanine(s) 0.0888626 Histidine(s) 0.096564 Valine(s) 0.459123 Threonine(s)	0.0225118483412317 H2O(s) 0.99999999999997 Glutamate(c)	37	26	-	-	-	-	-	-	28
Glycine	Glycine(c)	MIMES	Glycine(c)	test that cytosolic Glycine can be produced from the minimal exchange set	1.5 O2(s) 1 NH3(s) 0.5 Glucose(s)	2 H2O(s) 1 CO2(s) 0.99999999999997 Glycine(c)	29	8	-	-	-	-	-	-	21
Glutamine	Glutamine(c)	MIMES	Glutamine(c)	test that cytosolic Glutamine can be produced from the minimal exchange set	0.311966 O2(s) 0.196581 NH3(s) 0.401709 Histidine(s) 0.205128 Valine(s) 0.393162 Threonine(s)	0.00854700854700852 CO2(s) 0.99999999999997 Glutamine(c)	14	18	-	-	-	-	-	-	23
Proline	Proline(c)	MIMES	Proline(c)	test that cytosolic Proline can be produced from the minimal exchange set	1.05 O2(s) 0.05 Glucose(s) 0.1 Phenylalanine(s) 0.05 Histidine(s) 0.5 Valine(s) 0.25 Threonine(s)	2.45 H2O(s) 0.99999999999997 Proline(c)	31	28	-	-	-	-	-	-	30
Serine	Serine(c)	MIMES	Serine(c)	test that cytosolic Serine can be produced from the minimal exchange set	0.5 O2(s) 1 NH3(s) 0.5 Glucose(s)	1 H2O(s) 0.99999999999997 Serine(c)	23	3	-	-	-	-	-	-	17
Tyrosine	Tyrosine(c)	MIMES	Tyrosine(c)	test that cytosolic Tyrosine can be produced from the minimal exchange set	1.01429 O2(s) 0.0857143 Glucose(s) 1 Phenylalanine(s)	0.514285714285714 H2O(s) 0.514285714285714 CO2(s) 0.99999999999997 Tyrosine(c)	25	9	-	-	-	-	-	-	17
complete degradation of amino acids
Alanine degradation	-1 Alanine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Alanine(c)		3 O2(s) 1 Alanine(c)	2.5 H2O(s) 2.5 CO2(s) 0.5 Urea(s)	23	15	-	-	-	-	-	-	19
Arginine degradation	-1 Arginine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Arginine(c)		5.5 O2(s) 1 Arginine(c)	3 H2O(s) 4 CO2(s) 2 Urea(s)	23	15	-	-	-	-	-	-	24
Asparagine degradation	-1 Asparagine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Asparagine(c)		3 O2(s) 1 Asparagine(c)	2 H2O(s) 3 CO2(s) 1 Urea(s)	20	12	-	-	-	-	-	-	19
Aspartate degradation	-1 Aspartate(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Aspartate(c)		3 O2(s) 1 Aspartate(c)	2.5 H2O(s) 3.5 CO2(s) 0.5 Urea(s)	23	15	-	-	-	-	-	-	20
Cysteine degradation	-1 Cysteine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +H2S(s) +CO2(s)	Cysteine(c)		2.5 O2(s) 1 Cysteine(c)	1.5 H2O(s) 2.5 CO2(s) 0.5 Urea(s) 1 H2S(s)	23	14	-	-	-	-	-	-	22
Glutamate degradation	-1 Glutamate(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Glutamate(c)		4.5 O2(s) 1 Glutamate(c)	3.5 H2O(s) 4.5 CO2(s) 0.5 Urea(s)	22	14	-	-	-	-	-	-	20
Glycine degradation	-1 Glycine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) -Methionine(s) +H2S(s) +CO2(s)	Glycine(c)		7 O2(s) 1 Glycine(c) 1 Methionine(s)	5 H2O(s) 6 CO2(s) 1 Urea(s) 1 H2S(s)	26	21	-	-	-	-	-	-	25
Histidine degradation	-1 Histidine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Histidine(c)		5 O2(s) 1 Histidine(c)	1.5 H2O(s) 4.5 CO2(s) 1.5 Urea(s)	28	15	-	-	-	-	-	-	21
Isoleucine degradation	-1 Isoleucine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Isoleucine(c)		7.5 O2(s) 1 Isoleucine(c)	5.5 H2O(s) 5.5 CO2(s) 0.5 Urea(s)	41	27	-	-	-	-	-	-	23
Glutamine degradation	-1 Glutamine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Glutamine(c)		4.5 O2(s) 1 Glutamine(c)	3 H2O(s) 4 CO2(s) 1 Urea(s)	23	13	-	-	-	-	-	-	22
Leucine degradation	-1 Leucine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Leucine(c)		7.5 O2(s) 1 Leucine(c)	5.49999999999999 H2O(s) 5.5 CO2(s) 0.5 Urea(s)	24	20	-	-	-	-	-	-	23
Lysine degradation	-1 Lysine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Lysine(c)		7 O2(s) 1 Lysine(c)	5 H2O(s) 5 CO2(s) 1 Urea(s)	23	21	-	-	-	-	-	-	25
Methionine degradation	-1 Methionine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) -Serine(s) +H2S(s) +CO2(s)	Methionine(c)		5.5 O2(s) 1.5 Pi(c) 1.5 Serine(s) 1 Methionine(c)	8 H2O(s) 0.500000000000002 ATP(c) 4.5 CO2(s) 1 H2S(s)	53	17	-	-	-	-	-	-	24
Phenylalanine degradation	-1 Phenylalanine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Phenylalanine(c)		10 O2(s) 1 Phenylalanine(c)	4.5 H2O(s) 8.5 CO2(s) 0.5 Urea(s)	45	18	-	-	-	-	-	-	22
Proline degradation	-1 Proline(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Proline(c)		4.5 O2(s) 1 Proline(c)	1.5 H2O(s) 4.5 CO2(s) 0.5 Urea(s)	22	17	-	-	-	-	-	-	21
Serine degradation	-1 Serine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Serine(c)		2.5 O2(s) 1 Serine(c)	2.5 H2O(s) 2.5 CO2(s) 0.5 Urea(s)	24	13	-	-	-	-	-	-	22
Threonine degradation	-1 Threonine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Threonine(c)		4 O2(s) 1 Threonine(c)	3.5 H2O(s) 3.5 CO2(s) 0.5 Urea(s)	23	19	-	-	-	-	-	-	23
Tryptophan degradation	-1 Tryptophan(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Tryptophan(c)		11.5 O2(s) 1 Tryptophan(c)	4 H2O(s) 10 CO2(s) 1 Urea(s)	32	19	-	-	-	-	-	-	21
Tyrosine degradation	-1 Tyrosine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Tyrosine(c)		9.5 O2(s) 1 Tyrosine(c)	4.5 H2O(s) 8.5 CO2(s) 0.5 Urea(s)	28	17	-	-	-	-	-	-	22
Valine degradation	-1 Valine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Valine(c)		6 O2(s) 1 Valine(c)	4.5 H2O(s) 4.5 CO2(s) 0.5 Urea(s)	40	26	-	-	-	-	-	-	22
Homocysteine degradation	-1 Homocysteine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) -Serine(s) +H2S(s) +CO2(s)	Homocysteine(c)		6.5 O2(s) 1 Serine(s) 1 Homocysteine(c)	5 H2O(s) 6 CO2(s) 1 Urea(s) 1 H2S(s)	24	21	-	-	-	-	-	-	25
beta-Alanine degradation	-1 beta-Alanine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	beta-Alanine(c)		3 O2(s) 1 beta-Alanine(c)	2.5 H2O(s) 2.5 CO2(s) 0.5 Urea(s)	22	15	-	-	-	-	-	-	22
Ornithine degradation	-1 Ornithine(c)	-Palmitate(s) -O2(s) +ATP(c) -ADP(c) -Pi(c) =H2O(s) +Urea(s) +CO2(s)	Ornithine(c)		5.5 O2(s) 1 Ornithine(c)	4 H2O(s) 4 CO2(s) 1 Urea(s)	23	15	-	-	-	-	-	-	24
plasmaprotein biosynthesis
Albumin	Albumin(s)	PIPES	Albumin(s)		619.747 O2(s) 13 Glycine(s) 60 Lysine(s) 27 Arginine(s) 20 Glutamine(s) 28 Serine(s) 7 Methionine(s) 2 Tryptophan(s) 35 Phenylalanine(s) 19 Tyrosine(s) 64 Leucine(s) 16 Histidine(s) 228.254 Proline(s) 17 Asparagine(s) 43 Valine(s) 29 Threonine(s) 20.0159 Palmitate(s) 9 Isoleucine(s) 27 Cystine(s)	0.99999999999997 Albumin(s) 514.762711864407 CO2(s) 27 Glutamate(s) 16.2542372881349 Alanine(s) 19 Cysteine(s)	10	43	-	-	-	-	-	-	38
ureogenesis
Urea from alanine	Urea(s)	-O2(s) -Glucose(s) -Alanine(s) +CO2(s) =H2O(s)	Urea(s) Alanine(s)		6 O2(s) 2 Alanine(s)	4.99999999999999 H2O(s) 5 CO2(s) 0.99999999999997 Urea(s)	23	15	-	-	-	-	-	-	20
Urea from glutamine	Urea(s)	-O2(s) -Glucose(s) -Glutamine(s) +CO2(s) =H2O(s)	Urea(s) Glutamine(s)		4.5 O2(s) 1 Glutamine(s)	3 H2O(s) 4 CO2(s) 0.99999999999997 Urea(s)	22	14	-	-	-	-	-	-	22
creatine biosynthesis
Creatine	Creatine(c)	MIPES	Creatine(c)		1.70732 O2(s) 0.439024 NH3(s) 0.5 Glucose(s) 0.853659 Histidine(s)	0.439024390243905 H2O(s) 1.5609756097561 CO2(s) 0.853658536585366 L-Lactate(s) 0.99999999999997 Creatine(c)	33	10	-	-	-	-	-	-	28
heme biosynthesis
Heme	Heme(c)	MIPES	Heme(c)		9.93333 O2(s) 2.8 Glucose(s) 4.26667 Phenylalanine(s) 6.8 Threonine(s) 1 Isoleucine(s) 1 Fe2+(s)	29.2 H2O(s) 9.4 CO2(s) 0.99999999999997 Heme(c) 0.6 Alanine(s) 0.8 Arginine(s) 4.26666666666667 Tyrosine(s)	28	30	-	-	-	-	-	-	37
phospholipid biosynthesis
PC	PC-VLDL-pool(c)	PIPES	PC-VLDL-pool(c)		0.636364 O2(s) 1 Pi(s) 0.5 Glucose(s) 1 Choline(c) 1.09091 Proline(s) 0.169705 Arachidonate(s) 0.00748013 Palmitate(s) 0.577373 Oleate(s) 0.549322 Linoleate(s) 0.69612 Palmitolate(s)	0.909090909090909 H2O(s) 2.18181818181818 CO2(s) 1.09090909090909 Alanine(s) 0.99999999999997 PC-VLDL-pool(c)	32	9	-	-	-	-	-	-	27
PE	PE-VLDL-pool(c)	PIPES	PE-VLDL-pool(c)		0.7749 O2(s) 1 Pi(s) 0.560956 Glucose(s) 0.898805 Proline(s) 1 Ethanolamine(c) 0.596133 Arachidonate(s) 0.708378 Oleate(s) 0.357143 Linoleate(s) 0.338346 Palmitolate(s)	1.58884223545878 H2O(s) 2.16334667838427 CO2(s) 0.898805455196433 Alanine(s) 0.99999999999997 PE-VLDL-pool(c)	36	14	-	-	-	-	-	-	28
PS	PS-VLDL-pool(c)	PIPES	PS-VLDL-pool(c)		0.445182 O2(s) 1 Pi(s) 0.5 Glucose(s) 1.04593 Proline(s) 1 Ethanolamine(c) 0.530538 Arachidonate(s) 0.0892857 Palmitate(s) 1.33333 Oleate(s) 0.0468427 Linoleate(s)	0.706662902315074 H2O(s) 1.0918501788067 CO2(s) 1.04592508940335 Alanine(s) 0.99999999999997 PS-VLDL-pool(c)	30	9	-	-	-	-	-	-	27
PI	PI-pool(c)	PIPES	PI-pool(c)		0.636364 O2(s) 1 Pi(s) 1.5 Glucose(s) 1.09091 Proline(s) 0.507128 Arachidonate(s) 0.0128535 Palmitate(s) 1.1685 Oleate(s) 0.162187 Linoleate(s) 0.149334 Palmitolate(s)	0.909090909090908 H2O(s) 2.18181818181818 CO2(s) 1.09090909090909 Alanine(s) 0.99999999999997 PI-pool(c)	32	9	-	-	-	-	-	-	27
Cardiolipin	CL-pool(m)	PIPES	CL-pool(m)		2.57431 O2(s) 1 Pi(s) 2.07684 Glucose(s) 2.82609 Proline(s) 0.637563 Oleate(s) 2.99695 Linoleate(s) 0.365482 Palmitolate(s)	1.38320459059728 H2O(s) 6.11324210990847 CO2(s) 2.826086956521 Alanine(s) 0.99999999999997 CL-pool(m)	31	16	-	-	-	-	-	-	28
sphingolipid biosynthesis
SM	SM-pool(c)	PIPES	SM-pool(c)		1.78261 O2(s) 1 Pi(s) 1 Serine(s) 1 Choline(c) 1.3913 Proline(s) 0.016661 Arachidonate(s) 1.26969 Palmitate(s) 0.243228 Oleate(s) 0.0306018 Linoleate(s) 0.439819 Palmitolate(s)	2 H2O(s) 3.78260869565217 CO2(s) 1.39130434782609 Alanine(s) 0.99999999999997 SM-pool(c)	23	8	1	-	-	-	-	-	31
Ceramide	Ceramide-pool(c)	PIPES	Ceramide-pool(c)		0.391304 O2(s) 1 Serine(s) 0.695652 Proline(s) 0.016661 Arachidonate(s) 0.574038 Palmitate(s) 0.243228 Oleate(s) 0.0306018 Linoleate(s) 1.13547 Palmitolate(s)	2.39130434782609 CO2(s) 0.695652173913043 Alanine(s) 0.99999999999997 Ceramide-pool(c)	19	8	-	-	-	-	-	-	22
Lactosylceramide	LacCer-pool(r)	PIPES	LacCer-pool(r)		2.13043 O2(s) 2 Glucose(s) 1 Serine(s) 1.56522 Proline(s) 0.016661 Arachidonate(s) 1.4436 Palmitate(s) 0.243228 Oleate(s) 0.0306018 Linoleate(s) 0.265906 Palmitolate(s)	2 H2O(s) 4.1304347826087 CO2(s) 1.56521739130435 Alanine(s) 0.99999999999997 LacCer-pool(r)	26	7	2	-	-	-	-	-	29
biosynthesis of cofactors
CoA	CoA(c)	MIPES	CoA(c)	test that cytosolic CoA can be produced from the minimal exchange set	5.04688 O2(s) 3 Pi(s) 4.48438 NH3(s) 1.83333 Glucose(s) 1 Methionine(s) 0.515625 Valine(s) 1 Pantothenate(s)	16.515625 H2O(s) 0.99999999999997 CoA(c) 2.03125 CO2(s) 1.515625 L-Lactate(s)	51	26	-	-	-	-	-	-	37
NAD	NAD+(c)	MIPES	NAD+(c)	test that cytosolic NAD+ can be produced from the minimal exchange set	4.55 O2(s) 2 Pi(s) 1.31667 NH3(s) 2.16667 Glucose(s) 1 Histidine(s) 1 Nicotinamide(s) 0.683333 Valine(s)	10.6833333333333 H2O(s) 0.99999999999997 NAD+(c) 2.36666666666667 CO2(s) 1.68333333333333 L-Lactate(s)	50	19	-	-	-	-	-	-	35
NADP	NADP+(c)	MIPES	NADP+(c)	test that cytosolic NADP+ can be produced from the minimal exchange set	4.95 O2(s) 3 Pi(s) 1.18333 NH3(s) 2.16667 Glucose(s) 1 Histidine(s) 1 Nicotinamide(s) 0.816667 Valine(s)	11.8166666666667 H2O(s) 0.99999999999997 NADP+(c) 2.63333333333333 CO2(s) 1.81666666666667 L-Lactate(s)	49	20	-	-	-	-	-	-	34
FAD	FAD(c)	MIPES	FAD(c)	test that FAD be synthesized	3.55 O2(s) 2 Pi(s) 1.65 NH3(s) 1.33333 Glucose(s) 1 Histidine(s) 0.35 Valine(s) 1 Riboflavin(s)	9.35000000000001 H2O(s) 1.7 CO2(s) 0.99999999999997 FAD(c) 1.35 L-Lactate(s)	49	19	-	-	-	-	-	-	33
Thioredoxin	Thioredoxin(c)	PIPES	Thioredoxin(c)	test that cytosolic Thioredoxin can be produced from the minimal exchange set	106.456 O2(s) 5 Glycine(s) 12 Lysine(s) 5 Glutamine(s) 7 Serine(s) 3 Methionine(s) 1 Tryptophan(s) 9 Phenylalanine(s) 1 Tyrosine(s) 6 Leucine(s) 1 Histidine(s) 38.5593 Proline(s) 3 Asparagine(s) 11 Valine(s) 4 Threonine(s) 3.22246 Palmitate(s) 4 Isoleucine(s) 3 Cystine(s)	89.6779661016949 CO2(s) 3 Glutamate(s) 7.55932203389827 Alanine(s) 1 Cysteine(s) 0.99999999999997 Thioredoxin(c)	11	43	-	-	-	-	-	-	36
THF	THF(c)	MIPES	THF(c)	test that cytosolic THF can be produced from the minimal exchange set	0.947748 H2O(s) 0.0216216 O2(s) 0.0612613 NH3(s) 0.185586 Glucose(s) 1 Folate(s)	0.990990990990991 CO2(s) 0.0612612612612612 Glycine(s) 0.99999999999997 THF(c)	33	9	-	-	-	-	-	-	22
Pyridoxal-P	Pyridoxal-P(c)	MIPES	Pyridoxal-P(c)	test that cytosolic Pyridoxal-P can be produced from the minimal exchange set	0.92654 O2(s) 1 Pi(s) 1 Pyridoxine(s) 0.0189573 Palmitolate(s)	2.28436018957346 H2O(s) 0.303317535545023 CO2(s) 0.99999999999997 Pyridoxal-P(c)	10	39	-	-	-	-	-	-	20
fatty acid biosynthesis
Palmitate	Palmitate(c)	MIPES	Palmitate(c)	synthesis of cytosolic palmitate from the minimal exchange set	0.82659 H2O(s) 0.479769 Phenylalanine(s) 1.01156 Palmitolate(s)	0.184971098265896 CO2(s) 0.479768786127168 Tyrosine(s) 0.99999999999997 Palmitate(c)	10	38	3	-	-	-	-	-	20
Oleate	Oleate(c)	MIPES	Oleate(c)	synthesis of cytosolic oleate from the minimal exchange set	1.45602 O2(s) 1.1594 Palmitolate(s)	0.970681981192551 H2O(s) 1.13008081868884 CO2(s) 0.99999999999997 Oleate(c)	56	50	-	-	-	-	-	-	23
Stearate	Stearate(c)	MIPES	Stearate(c)	synthesis of cytosolic stearate from the minimal exchange set	0.442851 H2O(s) 0.335724 O2(s) 1.13272 Palmitolate(s)	0.689868751871179 CO2(s) 0.99999999999997 Stearate(c)	66	48	-	-	-	-	-	-	23
fatty acid degradation
Complete oxidation of oleate	ATP(c)	-Oleate(c) -Pi(c) -ADP(c) +CO2(s) -O2(s) =H2O(s)	ATP(c) Oleate(c)		0.211816 O2(s) 1 ADP(c) 1 Pi(c) 0.00864553 Oleate(c)	1.14121037463977 H2O(s) 0.99999999999997 ATP(c) 0.14985590778098 CO2(s)	8	55	-	-	-	-	-	-	18
fatty acid transformation
Arachidonate from Linoleate	Arachidonate(c)	-Linoleate(s) -Glucose(s) -O2(s) =H2O(s) +CO2(s)	Arachidonate(c) Linoleate(s)		3.31818 O2(s) 0.886364 Glucose(s) 1 Linoleate(s)	3.31818181818182 H2O(s) 3.31818181818182 CO2(s) 0.99999999999997 Arachidonate(c)	27	6	8	-	-	-	-	-	28
triglyceride biosynthesis
Triacylglycerol	Triacylglycerol-VLDL-pool(r)	PIPES	Triacylglycerol-VLDL-pool(r)		0.272727 O2(s) 0.5 Glucose(s) 0.848485 Proline(s) 0.0885608 Arachidonate(s) 0.116397 Palmitate(s) 1.29676 Oleate(s) 0.693677 Linoleate(s) 0.804603 Palmitolate(s)	0.151515151515178 H2O(s) 1.69696969696965 CO2(s) 0.848484848484823 Alanine(s) 0.99999999999997 Triacylglycerol-VLDL-pool(r)	29	9	-	-	-	-	-	-	24
cholesterol biosynthesis
Cholesterol	Cholesterol(r)	MIPES	Cholesterol(r)		16.7298 O2(s) 2.28242 Glucose(s) 2.32061 Phenylalanine(s) 1.94669 Arachidonate(s) 0.951009 Palmitolate(s)	12.4942363112392 H2O(s) 19.7276657060519 CO2(s) 2.32060518731988 Alanine(s) 0.99999999999997 Cholesterol(r) 1.94668587896254 Linoleate(s)	45	37	23	6	-	-	-	-	42
farnesylpyrophosphate biosynthesis
Farnesyl-PP	Farnesyl-PP(p)	MIPES	Farnesyl-PP(p)	synthesis of farnesyl diphosphate in the peroxysome from minimal exchange set	7.24677 O2(s) 2 Pi(s) 1.11628 Glucose(s) 1.06848 Phenylalanine(s) 0.625323 Palmitolate(s)	7.21447028423777 H2O(s) 8.11369509043925 CO2(s) 1.06847545219637 Alanine(s) 0.99999999999997 Farnesyl-PP(p)	42	37	-	6	-	-	-	-	29
ketogenesis
Acetoacetate	Acetoacetate(s)	-Palmitate(s) -O2(s) +CO2(s) =H2O(s)	Acetoacetate(s) Palmitate(s)	test that Acetoacetate can be produced and excreted into the blood from the minimal exchange set	1.75 O2(s) 0.25 Palmitate(s)	1 H2O(s) 0.99999999999997 Acetoacetate(s)	15	32	-	-	-	-	-	-	21
(R)-3-Hydroxybutanoate	(R)-3-Hydroxybutanoate(c)	-Palmitate(s) -O2(s) +CO2(s) =H2O(s)	(R)-3-Hydroxybutanoate(c) Palmitate(s)		1.25 O2(s) 0.25 Palmitate(s)	0.99999999999997 (R)-3-Hydroxybutanoate(c)	15	35	-	-	-	-	-	-	14
VLDL formation
VLDL	VLDL(s)	PIPES	VLDL(s)	synthesis of VLDL particle from minimal exchange set and excretion into blood	23257.7 O2(s) 3271 Pi(s) 10887.2 Glucose(s) 333 Glycine(s) 448 Lysine(s) 388 Arginine(s) 1245 Serine(s) 135 Methionine(s) 93 Tryptophan(s) 252 Phenylalanine(s) 179 Tyrosine(s) 3085 Choline(c) 820 Leucine(s) 129 Histidine(s) 12695.4 Proline(s) 254 Asparagine(s) 420 Valine(s) 384 Threonine(s) 185 Ethanolamine(c) 6884.2 Arachidonate(s) 299 Isoleucine(s) 19.5 Cystine(s) 15473.1 Oleate(s) 25.1479 Stearate(s) 4040.5 Linoleate(s) 15463.6 Palmitolate(s)	35914.9979211927 H2O(s) 49663.738922257 CO2(s) 19.5 Glutamate(s) 5613.88108200236 Alanine(s) 2245.50931416372 Glutamine(s) 0.99999999999997 VLDL(s)	81	45	33	6	-	-	-	-	82
LDL catabolism
LDL degradation	-1 LDL(s)	MIPES	LDL(s)	test that LDL can be degraded using the digestion target set	2109.24 H2O(s) 2261.27 O2(s) 1 LDL(s)	859.999999999987 Pi(s) 770.894128969126 CO2(s) 713.442090859775 Glutamate(s) 207 Glycine(s) 287.45621236777 Alanine(s) 357 Lysine(s) 150 Arginine(s) 175.223593858085 Glutamine(s) 552 Serine(s) 79 Methionine(s) 37 Tryptophan(s) 224 Phenylalanine(s) 151 Tyrosine(s) 25 Cysteine(s) 609.999999999983 Choline(c) 533 Leucine(s) 115 Histidine(s) 171 Proline(s) 369.327254528142 Asparagine(s) 252 Valine(s) 510.884181719551 L-Lactate(s) 2194.9999999999 Cholesterol(b) 300 Threonine(s) 29.9999999999982 Ethanolamine(c) 240.105690887375 Arachidonate(s) 285 Isoleucine(s) 1079.84154856161 Linoleate(s) 1670.05276055087 Palmitolate(s)	72	40	7	-	10	-	2	-	102
Bile formation
Glycocholate bile	Glycocholate(b)	MIPES	Glycocholate(b)	Glycocholate synthesis from minimal exchange set and excretion into bile	21.8714 O2(s) 2.14667 Glucose(s) 2.25722 Phenylalanine(s) 1.67667 Arachidonate(s) 0.903889 Palmitolate(s)	15.3061111111111 H2O(s) 21.2388888888889 CO2(s) 1.25722222222222 Alanine(s) 1.67666666666667 Linoleate(s) 0.99999999999997 Glycocholate(b)	55	42	26	13	-	-	-	-	57
Glycochenodeoxycholate bile	Glycochenodeoxycholate(b)	-Palmitate(s) -O2(s) +CO2(s) +H2O(s) +Urea(s) -Alanine(s) -Serine(s)	Glycochenodeoxycholate(b)	Glycochenodeoxycholate synthesis from minimal exchange set and excretion into bile	23.4431 O2(s) 0.666667 Alanine(s) 1 Serine(s) 2.34535 Palmitate(s)	18.1923076923077 H2O(s) 16.1923076923077 CO2(s) 0.333333333333332 Urea(s) 0.99999999999997 Glycochenodeoxycholate(b)	46	47	20	8	-	-	-	-	52
Taurocholate bile	Taurocholate(b)	MIPES	Taurocholate(b)	Taurocholate synthesis from minimal exchange set and excretion into bile	23.357 O2(s) 1.83965 Glucose(s) 1 Methionine(s) 2.28606 Phenylalanine(s) 1.72372 Arachidonate(s) 0.838631 Palmitolate(s)	15.6369193154034 H2O(s) 21.619804400978 CO2(s) 0.286063569682153 Alanine(s) 1 Glutamine(s) 1.72371638141809 Linoleate(s) 0.99999999999997 Taurocholate(b)	61	48	26	13	-	-	-	-	62
Taurochenodeoxycholate bile	Taurochenodeoxycholate(b)	MIPES	Taurochenodeoxycholate(b)	Taurochenodeoxycholate synthesis from minimal exchange set and excretion into bile	22.8794 O2(s) 2.08462 Glucose(s) 1 Methionine(s) 2.24124 Phenylalanine(s) 1.18011 Arachidonate(s) 0.881011 Palmitolate(s)	14.5656071719641 H2O(s) 22.4115729421353 CO2(s) 0.241238793806031 Alanine(s) 1 Glutamine(s) 1.1801140994295 Linoleate(s) 0.99999999999997 Taurochenodeoxycholate(b)	62	48	24	8	-	-	-	-	59
PC bile	Bile-PC-pool(b)	PIPES	Bile-PC-pool(b)		0.890127 O2(s) 1 Pi(s) 0.531656 Glucose(s) 1 Choline(c) 1.11236 Proline(s) 0.112642 Arachidonate(s) 0.351308 Oleate(s) 0.655682 Linoleate(s) 0.880367 Palmitolate(s)	1.14088760583567 H2O(s) 2.41464979331912 CO2(s) 1.11235785052446 Alanine(s) 0.99999999999997 Bile-PC-pool(b)	37	15	-	-	-	-	-	-	28
PS bile	PS-VLDL-pool(b)	PIPES	PS-VLDL-pool(b)		0.445182 O2(s) 1 Pi(s) 0.5 Glucose(s) 1.04593 Proline(s) 1 Ethanolamine(c) 0.530538 Arachidonate(s) 0.0892857 Palmitate(s) 1.33333 Oleate(s) 0.0468427 Linoleate(s)	0.706662902315077 H2O(s) 1.0918501788067 CO2(s) 1.04592508940335 Alanine(s) 0.99999999999997 PS-VLDL-pool(b)	30	9	-	-	-	-	-	-	28
PE bile	PE-VLDL-pool(b)	PIPES	PE-VLDL-pool(b)		0.956718 O2(s) 1 Pi(s) 0.560956 Glucose(s) 1.02002 Proline(s) 1 Ethanolamine(c) 0.596133 Arachidonate(s) 0.708378 Oleate(s) 0.357143 Linoleate(s) 0.338346 Palmitolate(s)	1.46763011424665 H2O(s) 2.40577092080851 CO2(s) 1.02001757640855 Alanine(s) 0.99999999999997 PE-VLDL-pool(b)	37	13	-	-	-	-	-	-	30
SM bile	SM-pool(b)	PIPES	SM-pool(b)		2.13043 O2(s) 1 Pi(s) 1 Serine(s) 1 Choline(c) 1.56522 Proline(s) 0.016661 Arachidonate(s) 1.4436 Palmitate(s) 0.243228 Oleate(s) 0.0306018 Linoleate(s) 0.265906 Palmitolate(s)	2 H2O(s) 4.1304347826087 CO2(s) 1.56521739130435 Alanine(s) 0.99999999999997 SM-pool(b)	23	8	1	-	-	-	-	-	32
biosynthesis of cofactors
PAPS	PAPS(c)	MIPES	PAPS(c)	test that cytosolic PAPS can be produced from the minimal exchange set	3.55 O2(s) 2 Pi(s) 1.65 NH3(s) 1.33333 Glucose(s) 1 Sulfate(s) 1 Histidine(s) 0.35 Valine(s)	9.35 H2O(s) 1.7 CO2(s) 0.99999999999997 PAPS(c) 1.35 L-Lactate(s)	49	19	-	-	-	-	-	-	36
SAM	S-Adenosylmethioninamine(c)	MIPES	S-Adenosylmethioninamine(c)	test that cytosolic S-Adenosylmethioninamine can be produced from the minimal exchange set	2.95 O2(s) 1.85 NH3(s) 1.33333 Glucose(s) 1 Methionine(s) 1 Histidine(s) 0.15 Valine(s)	7.15000000000001 H2O(s) 2.3 CO2(s) 1.15 L-Lactate(s) 0.99999999999997 S-Adenosylmethioninamine(c)	46	19	-	-	-	-	-	-	32
formation of glutathione
GSH	GSH(c)	MIPES	GSH(c)		5.25 O2(s) 2 NH3(s) 1 Glucose(s) 1 Methionine(s) 4.5 Phenylalanine(s)	6 H2O(s) 1 CO2(s) 0.99999999999997 GSH(c) 4.5 Tyrosine(s)	28	12	-	-	-	-	-	-	21
detoxification of reactive oxygen species
O radical	-1 O2.-(c)	MIPES	O2.-(c)		0.0625 Glucose(s) 0.73913 Phenylalanine(s) 0.0108696 Histidine(s) 1 O2.-(c)	0.842391304347826 H2O(s) 0.375 CO2(s) 0.0326086956521739 Glycine(s) 0.739130434782609 Tyrosine(s)	36	10	-	-	-	-	-	-	22
bilirubin catabolism
Bilirubin conjugation	Bilirubin-bisglucuronoside(b)	MIPES -Bilirubin(s)	Bilirubin(s) Bilirubin-bisglucuronoside(b)	test the import of blood Bilirubin and the bile excretion of conjugated Bilirubin 	2.21327 O2(s) 2 Glucose(s) 1 Bilirubin(s) 0.00947867 Palmitolate(s)	4.14218009478673 H2O(s) 0.151658767772512 CO2(s) 0.99999999999997 Bilirubin-bisglucuronoside(b)	13	38	2	-	-	-	-	-	25
detoxification of xenobiotics
NH3 degradation	-1 NH3(s)	-O2(s) -Glucose(s) +CO2(s) =H2O(s) +Urea(s)	NH3(s) Urea(s)	test the conversion of imported ammonium to excreted urea while the oxidation of glucose to CO2 is allowed	0.5 O2(s) 1 NH3(s) 0.0833333 Glucose(s)	1 H2O(s) 0.5 Urea(s)	20	15	-	-	-	-	-	-	24
Ethanol degradation	-1 Ethanol(s)	MIMES	Ethanol(s)	test that Ethanol can be degraded using the digestion target set	1.30109 O2(s) 0.0422615 Glucose(s) 1 Ethanol(s)	2.03643876784373 H2O(s) 0.884297520661157 CO2(s) 0.0507137490608565 Cholesterol(b)	22	12	19	6	-	-	-	-	34