Model | Supplementary table

Selected Cell

Cell:

Value:

Reactions Loci Enzymes Metabolites Metabolite-Reactions

100

Reaction ID	Category	Sub category	External reaction ID (MetaCyc, BRENDA, KEGG)	Reaction name	Reaction	Locus tags	EC numbers	comment
1	Biomass			BIOMASS_PROTEIN	0.9066 glycine + 0.7602 L-alanine + 0.4377 L-arginine + 0.3567 L-asparagine + 0.3567 L-aspartate + 0.1355 L-cysteine + 0.3894 L-glutamate + 0.3894 L-glutamine + 0.1402 L-histidine + 0.4299 L-isoleucine + 0.6667 L-leucine + 0.5078 L-lysine + 0.2274 L-methionine + 0.2742 L-phenylalanine + 0.3271 L-proline + 0.3193 L-serine + 0.3754 L-threonine + 0.0841 L-tryptophan + 0.2041 L-tyrosine + 0.6262 L-valine --> 1 \|PROTEIN\|
2	Biomass			BIOMASS_LPS	0.2709 O-antigen --> 1 \|LPS\|
3	Biomass			BIOMASS_DNA	0.3755 dATP + 0.3740 dTTP + 0.6872 dCTP + 0.6864 dGTP --> 1 \|DNA\|
4	Biomass			BIOMASS_LIPID	0.0434 cardiolipin + 0.651 phosphatidylethanolamine + 0.156 phosphatidylglycerol --> 1 \|LIPID\|
5	Biomass			BIOMASS_PHB	1.163 PHB --> 1 \|PHB\|
6	Biomass			BIOMASS_MUREIN	0.1749 a_peptidoglycan_with_D,D_cross-links_(meso-diaminopimelate_containing) --> 1 \|MUREIN\|
7	Biomass			BIOMASS_RNA	0.4919 ATP + 0.4000 UTP + 0.5056 CTP + 0.6620 GTP --> 1 \|RNA\|
8	Biomass			BIOMASS_SOLUBLE	0.0314 10-formyl-tetrahydrofolate + 0.0314 3-demethylubiquinol-8 + 0.0314 5,10-methylenetetrahydrofolate + 0.0314 5-methyl-tetrahydrofolate + 0.0392 acetyl-CoA + 0.0314 adenosylcobalamin + 0.0314 chorismate + 0.0235 CoA + 0.0009 cytidylylmolybdenum_cofactor + 0.0078 di-trans,octa-cis-undecaprenyl_diphosphate + 0.0314 FAD + 0.0314 glutathione + 0.0009 guanylyl_molybdenum_cofactor + 0.0044 malonyl-CoA + 0.0009 molybdate + 0.2510 NAD+ + 0.0063 NADH + 0.0157 NADP+ + 0.0471 NADPH + 4.6799 putrescine + 0.0314 pyridoxal_5'-phosphate + 0.0314 riboflavin + 0.0314 S-adenosyl-L-methionine + 0.0138 succinyl-CoA + 0.0314 tetrahydrofolate + 0.0314 thiamin_diphosphate + 0.0628 ubiquinol-8 + 0.0314 uroporphyrinogen-III --> 1 \|SOLUBLE\|
9	Biomass			BIOMASS	0.6818 \|PROTEIN\| + 0.0726 \|RNA\| + 0.0110 \|DNA\| + 0.1454 \|LIPID\| + 0.0085 \|LPS\| + 0.0062 \|MUREIN\| + 0.029 \|SOLUBLE\| + 0.0530 \|PHB\| --> 1 \|BIOMASS\|
10	Biomass	maintenance energy		GAM	53.95 ATP + 53.95 H2O + 1 \|BIOMASS\| --> 53.95 ADP + 53.95 phosphate + 53.95 H+
11	Biomass	maintenance energy		NGAM	1 ATP + 1 H2O --> 1 H+ + 1 phosphate + 1 ADP
12	Transporter	exchange reactions		_boundary_H+_pool_flux	1 H+ <=>
13	Transporter	exchange reactions		_boundary_ammonia_flux	1 NH3_ex <=>
14	Transporter	exchange reactions		_boundary_Fe2+_flux	1 Fe2+_ex <=>
15	Transporter	exchange reactions		_boundary_Mg2+_flux	1 Mg2+_ex <=>
16	Transporter	exchange reactions		_boundary_Co2+_flux	1 Co2+_ex <=>
17	Transporter	exchange reactions		_boundary_F-_flux	1 F-_ex <=>
18	Transporter	exchange reactions		_boundary_Cl-_flux	1 Cl-_ex <=>
19	Transporter	exchange reactions		_boundary_Zn2+_flux	1 Zn2+_ex <=>
20	Transporter	exchange reactions		_boundary_3-(4-hydroxyphenyl)propanoate_flux	1 3-(4-hydroxyphenyl)propanoate_ex <=>
21	Transporter	exchange reactions		_boundary_benzoate_flux	1 benzoate_ex <=>
22	Transporter	exchange reactions		_boundary_L-alanine_flux	1 L-alanine_ex <=>
23	Transporter	exchange reactions		_boundary_L-proline_flux	1 L-proline_ex <=>
24	Transporter	exchange reactions		_boundary_nitrate_flux	1 nitrate_ex <=>
25	Transporter	exchange reactions		_boundary_nitrite_flux	1 nitrite_ex <=>
26	Transporter	exchange reactions		_boundary_potassium_flux	1 potassium_ex <=>
27	Transporter	exchange reactions		_boundary_riboflavin_flux	1 riboflavin_ex <=>
28	Transporter	exchange reactions		_boundary_acetate_flux	1 acetate_ex <=>
29	Transporter	exchange reactions		_boundary_4-ethylphenol_flux	1 4-ethylphenol_ex <=>
30	Transporter	exchange reactions		_boundary_4-hydroxybenzoate_flux	1 4-hydroxybenzoate_ex <=>
31	Transporter	exchange reactions		_boundary_phosphate_flux	1 phosphate_ex <=>
32	Transporter	exchange reactions		_boundary_sulfate_flux	1 sulfate_ex <=>
33	Transporter	exchange reactions		_boundary_molybdate_flux	1 molybdate_ex <=>
34	Transporter	exchange reactions		_boundary_adenosylcobalamin_flux	1 adenosylcobalamin_ex <=>
35	Transporter	exchange reactions		_boundary_heme_flux	1 heme_ex <=>
36	Transporter	exchange reactions		_boundary_L-phenylalanine_flux	1 L-phenylalanine_ex <=>
37	Transporter	exchange reactions		_boundary_phenylacetate_flux	1 phenylacetate_ex <=>
38	Transporter	exchange reactions		_boundary_phthalate_flux	1 phthalate_ex <=>
39	Transporter	exchange reactions		_boundary_cyclohexanecarboxylate_flux	1 cyclohexanecarboxylate_ex <=>
40	Transporter	exchange reactions		_boundary_benzylamine_flux	1 benzylamine_ex <=>
41	Transporter	exchange reactions		_boundary_indoleacetate_flux	1 (indol-3-yl)acetate_ex <=>
42	Transporter	exchange reactions		_boundary_benzaldehyde_flux	1 benzaldehyde_ex <=>
43	Transporter	exchange reactions		_boundary_4-cresol_flux	1 4-cresol_ex <=>
44	Transporter	exchange reactions		_boundary_phenol_flux	1 phenol_ex <=>
45	Transporter	exchange reactions		_boundary_toluene_flux	1 toluene_ex <=>
46	Transporter	exchange reactions		_boundary_ethylbenzene_flux	1 ethylbenzene_ex <=>
47	Transporter	exchange reactions		_boundary_3-hydroxybenzoate_flux	1 3-hydroxybenzoate_ex <=>
48	Transporter	exchange reactions		_boundary_succinate_flux	1 succinate_ex <=>
49	Transporter	exchange reactions		_boundary_3-phenylpropanoate_flux	1 3-phenylpropanoate_ex <=>
50	Transporter	exchange reactions		_boundary_S-adenosyl-L-methionine_flux	1 S-adenosyl-L-methionine_ex <=>
51	Transporter	exchange reactions		_boundary_S-adenosyl-L-homocysteine_flux	1 S-adenosyl-L-homocysteine_ex <=>
52	Transporter	exchange reactions		_boundary_(S)-malate_flux	1 (S)-malate_ex <=>
53	Transporter	exchange reactions		_boundary_fumarate_flux	1 fumarate_ex <=>
54	Transporter	exchange reactions		_boundary_L-aspartate_flux	1 L-aspartate_ex <=>
55	Transporter	exchange reactions		_boundary_2-oxoglutarate_flux	1 2-oxoglutarate_ex <=>
56	Transporter	exchange reactions		_boundary_pyruvate_flux	1 pyruvate_ex <=>
57	Transporter	exchange reactions		_boundary_D-mannose_flux	1 D-mannose_ex <=>
58	Transporter	exchange reactions		_boundary_D-fructose_flux	1 D-fructose_ex <=>
59	Transporter	exchange reactions		_boundary_arsenate_flux	1 arsenate_ex <=>
60	Transporter	exchange reactions		_boundary_Fe3+_flux	1 Fe3+_ex <=>
61	Transporter	exchange reactions		_boundary_Cu+_flux	1 Cu+_ex <=>
62	Transporter	exchange reactions		_boundary_Ca2+_flux	1 Ca2+_ex <=>
63	Transporter	exchange reactions		_boundary_tungstate_flux	1 tungstate_ex <=>
64	Transporter	exchange reactions		_boundary_sn-glycerol-3-phosphate_flux	1 sn-glycerol-3-phosphate_ex <=>
65	Transporter	exchange reactions		_boundary_L-glutamate_flux	1 L-glutamate_ex <=>
66	Transporter	exchange reactions		_boundary_glutathione_flux	1 glutathione_ex <=>
67	Transporter	exchange reactions		_boundary_2-phenylethylamine_flux	1 2-phenylethylamine_ex <=>
68	Transporter	exchange reactions		_boundary_folate_flux	1 folate_ex <=>
69	Transporter	diffusion		_boundary_CO2_flux	1 CO2 <=>
70	Transporter	diffusion		_boundary_H2O_flux	1 H2O <=>
71	Transporter	diffusion		_boundary_oxygen_flux	1 O2 <=>
72	Transporter	diffusion		_boundary_carbon_monoxide_flux	1 carbon_monoxide <=>
73	Transporter	efflux pumps		_boundary_Co2+_efflux	1 Co2+ -->	EbN1_C07370
74	Transporter	efflux pumps		_boundary_Cu+_2.A.6.1.4_efflux	1 Cu+ -->	EbN1_C12150
75	Transporter	efflux pumps		_boundary_Mg2+_efflux	1 Mg2+ -->	EbN1_C07370
76	Transporter	efflux pumps		_boundary_arsenate_2.A.59.1.3_efflux	1 arsenate -->	EbN1_C28710
77	Transporter	efflux pumps		_boundary_L-threonine_2.A.76.1.2_efflux	1 L-threonine -->	EbN1_C37950
78	Transporter	channels		_trans_ammonia_trans	1 NH3 <=> 1 NH3_ex	EbN1_C17840
79	Transporter	channels		_trans_Fe2+_trans	1 Fe2+ <-- 1 Fe2+_ex	EbN1_C02880
80	Transporter	channels		_trans_Mg2+_1.A.26.1.7_1.A.35.3.2_trans	1 Mg2+ <-- 1 Mg2+_ex	EbN1_C09560
81	Transporter	channels		_trans_Co2+_1.A.35.3.2_trans	1 Co2+ <-- 1 Co2+_ex	EbN1_C25740
82	Transporter	channels		_trans_F-_1.A.43.1.1_trans	1 F- --> 1 F-_ex	EbN1_C23320
83	Transporter	channels		_trans_Zn2+_2.A.5.5.2_trans	1 Zn2+ <-- 1 Zn2+_ex	EbN1_C25910
84	Transporter	sym- and antiporter		_trans_nitrate_2.A.1.8.11_trans-H+	1 nitrate + 2 H+ <-- 2 H+_ex + 1 nitrate_ex	EbN1_C36380
85	Transporter	sym- and antiporter		_trans_riboflavin_2.A.1.-.-_trans-H+	1 riboflavin + 2 H+ <-- 2 H+_ex + 1 riboflavin_ex	EbN1_C32810
86	Transporter	sym- and antiporter		_trans_SAM_2.A.7.3.7_trans-SAH	1 S-adenosyl-L-homocysteine + 1 S-adenosyl-L-methionine_ex --> 1 S-adenosyl-L-methionine + 1 S-adenosyl-L-homocysteine_ex	EbN1_C28490
87	Transporter	sym- and antiporter		_trans_acetate_2.A.21.7.5_trans-H+	1 acetate + 2 H+ <-- 2 H+_ex + 1 acetate_ex	EbN1_C20100
88	Transporter	sym- and antiporter		_trans_aromatics_4-ethylphenol_importer_trans-H+	1 4-ethylphenol + 2 H+ <=> 2 H+_ex + 1 4-ethylphenol_ex			in the medium
89	Transporter	sym- and antiporter		_trans_aromatics_4-hydroxybenzoate_exporter	1 4-hydroxybenzoate + 2 H+_ex --> 2 H+ + 1 4-hydroxybenzoate_ex	EbN1_C40720
90	Transporter	sym- and antiporter		_trans_aromatics_4-hydroxybenzoate_2.A.1.15.1_trans-H+	1 4-hydroxybenzoate + 2 H+ <-- 2 H+_ex + 1 4-hydroxybenzoate_ex	EbN1_C28650
91	Transporter	sym- and antiporter		_trans_aromatics_3-hydroxybenzoate_2.A.1.15.1_trans-H+	1 3-hydroxybenzoate + 2 H+ <-- 2 H+_ex + 1 3-hydroxybenzoate_ex	EbN1_C28650
92	Transporter	sym- and antiporter		_trans_aromatics_benzoate_2.A.1.15.5_trans-H+	1 benzoate + 2 H+ <-- 2 H+_ex + 1 benzoate_ex	EbN1_C30500
93	Transporter	sym- and antiporter		_trans_sulfate_2.A.53.1.8_trans-H+	1 sulfate + 2 H+ <-- 2 H+_ex + 1 sulfate_ex	EbN1_C25680
94	Transporter	sym- and antiporter		_trans_succinate_2.A.56.1.1_2.A.53.3.11_trans-H+	1 succinate + 2 H+ <-- 2 H+_ex + 1 succinate_ex	EbN1_C23780, EbN1_C23770, EbN1_C25220
95	Transporter	sym- and antiporter		_trans_(S)-malate_2.A.56.1.1_2.A.53.3.11_trans-H+	1 (S)-malate + 2 H+ <-- 2 H+_ex + 1 (S)-malate_ex	EbN1_C23780, EbN1_C23770, EbN1_C25220
96	Transporter	sym- and antiporter		_trans_fumarate_2.A.56.1.1_2.A.53.3.11_trans-H+	1 fumarate + 2 H+ <-- 2 H+_ex + 1 fumarate_ex	EbN1_C23780, EbN1_C23770, EbN1_C25220
97	Transporter	sym- and antiporter		_trans_L-aspartate_2.A.56.1.1_2.A.53.3.11_trans-H+	1 L-aspartate + 2 H+ <-- 2 H+_ex + 1 L-aspartate_ex	EbN1_C23780, EbN1_C23770, EbN1_C25220
98	Transporter	sym- and antiporter		_trans_phthalate_2.A.56.1.12_trans-H+	1 phthalate + 2 H+ <-- 2 H+_ex + 1 phthalate_ex	EbN1_PII00560
99	Transporter	sym- and antiporter		_trans_2-oxoglutarate_2.A.56.1.12_trans-H+	1 2-oxoglutarate + 2 H+ <-- 2 H+_ex + 1 2-oxoglutarate_ex	EbN1_PII00560

100

Reaction ID	Locus tag
73	EbN1_C07370
74	EbN1_C12150
75	EbN1_C07370
76	EbN1_C28710
77	EbN1_C37950
78	EbN1_C17840
79	EbN1_C02880
80	EbN1_C09560
81	EbN1_C25740
82	EbN1_C23320
83	EbN1_C25910
84	EbN1_C36380
85	EbN1_C32810
86	EbN1_C28490
87	EbN1_C20100
89	EbN1_C40720
90	EbN1_C28650
91	EbN1_C28650
92	EbN1_C30500
93	EbN1_C25680
94	EbN1_C23780
94	EbN1_C23770
94	EbN1_C25220
95	EbN1_C23780
95	EbN1_C23770
95	EbN1_C25220
96	EbN1_C23780
96	EbN1_C23770
96	EbN1_C25220
97	EbN1_C23780
97	EbN1_C23770
97	EbN1_C25220
98	EbN1_PII00560
99	EbN1_PII00560
100	EbN1_C05540
100	EbN1_C05560
100	EbN1_C05550
101	EbN1_C10760
102	EbN1_C15830
103	EbN1_C15830
104	EbN1_C08820
105	EbN1_C28700
106	EbN1_C28090
106	EbN1_C11820
107	EbN1_C12170
107	EbN1_C29600
107	EbN1_C29410
108	EbN1_C23700
109	EbN1_C27620
110	EbN1_C35880
111	EbN1_C28800
112	EbN1_C19970
113	EbN1_C23020
113	EbN1_C20990
114	EbN1_C15390
115	EbN1_C25810
116	EbN1_C26080
117	EbN1_C26080
118	EbN1_C37390
118	EbN1_C32530
119	EbN1_C30460
119	EbN1_C30450
119	EbN1_C30470
120	EbN1_C30460
120	EbN1_C30450
120	EbN1_C30470
121	EbN1_C30460
121	EbN1_C30470
122	EbN1_C29750
123	EbN1_C11610
124	EbN1_C20250
124	EbN1_C20270
125	EbN1_C20250
125	EbN1_C20260
126	EbN1_C03820
126	EbN1_C03810
128	EbN1_C03820
128	EbN1_C03810
129	EbN1_C03820
129	EbN1_C03810
130	EbN1_C03820
130	EbN1_C03810
132	EbN1_C37950
133	EbN1_C37950
134	EbN1_C25910
136	EbN1_C11610
138	EbN1_C11610
140	EbN1_C11610
141	EbN1_C25910
142	EbN1_C11610
144	EbN1_C06580
145	EbN1_C36370
146	EbN1_C25910
147	EbN1_C15990
148	EbN1_C31980
148	EbN1_C15530
148	EbN1_C15540
149	EbN1_C02950
149	EbN1_C02940

100

Reaction ID	EC number
104	7.-.2.-
105	7.3.2.7
106	7.2.2.7
107	7.2.2.8
108	7.2.2.10
109	7.3.2.1
110	7.3.2.3
111	7.3.2.6
112	7.6.2.5
113	7.6.2.-
114	7.3.2.5
116	7.4.2.1
117	7.4.2.1
118	7.4.2.10
152	2.7.1.2
153	5.3.1.9
154	5.3.1.9
155	5.3.1.9
156	5.4.2.2
157	2.7.1.90
158	4.1.2.13
159	5.3.1.1
160	1.2.1.12
161	2.7.2.3
162	5.4.2.11
163	4.2.1.11
164	2.7.1.40
165	2.3.1.12
165	1.2.4.1
165	1.8.1.4
165	1.2.5.1
166	3.1.3.11
167	2.7.9.2
168	1.1.1.40
169	4.1.1.32
170	2.3.3.1
171	4.2.1.3
172	1.1.1.42
173	1.2.7.3
174	1.2.1.105
174	2.3.1.61
174	1.8.1.4
174	1.2.4.2
175	6.2.1.5
176	1.3.5.1
177	4.2.1.2
178	1.1.1.37
179	4.1.3.1
180	2.3.3.9
181	4.1.1.31
182	6.4.1.1
183	5.1.3.1
184	5.3.1.6
185	2.2.1.1
186	2.2.1.1
187	2.2.1.2
188	2.7.6.1
189	1.7.5.1
190	1.7.2.1
191	1.7.2.5
192	1.7.2.4
193	7.1.1.2
194	1.6.5.2
195	7.1.1.8
196	7.1.1.9
197	7.1.2.2
198	4.2.1.1
200	1.17.1.9
201	3.6.1.1
202	3.6.1.11
204	1.8.1.4
205	1.11.1.5
206	1.8.1.9
207	1.5.5.1
212	6.3.2.2
213	6.3.2.3
215	1.1.1.284
216	3.1.2.12
217	3.4.11.1
217	3.4.11.10
218	3.4.19.13
219	2.7.7.4
220	1.8.4.10
221	1.8.1.2
222	1.5.1.3
225	1.5.1.5
226	3.5.4.9
227	1.5.1.3
228	2.7.1.30
229	1.1.5.3
230	2.7.1.165
231	1.1.1.36
233	1.4.1.4
234	1.4.1.2
235	6.3.1.2
236	1.4.1.13
237	2.6.1.57
238	6.3.5.4
239	3.5.1.1

100

Metabolite	Formula	Mol. mass	BRENDA	MetaCyc	KEGG
L-phenylalanine	C9H11O2N1	165.192	98	PHE	C00079
L-tyrosine	C9H11O3N1	181.191	103	TYR	C00082
L-lysine	C6H14O2N2	146.19	128	LYS	C00047
L-isoleucine	C6H13O2N1	131.175	266	ILE	C00407
L-arginine	C6H14O2N4	174.204	117	ARG	C00062
L-threonine	C4H9O3N1	119.12	220	D-THREONINE	C00188
L-tryptophan	C11H12O2N2	204.229	113	TRP	C00078
L-aspartate	C4H7O4N1	133.103	91	L-ASPARTATE	C00049
L-glutamine	C5H10O3N2	146.146	96	GLN	C00064
L-valine	C5H11O2N1	117.148	217	VAL	C00183
L-histidine	C6H9O2N3	155.157	296	HIS	C00135
L-asparagine	C4H8O3N2	132.119	231	ASN	C00152
L-leucine	C6H13O2N1	131.175	121	LEU	C00123
glycine	C2H5O2N1	75.067	68	GLY	C00037
L-cysteine	C3H7O2S1N1	121.154	70	CYS	C00736
L-alanine	C3H7O2N1	89.094	97	5-AMINO-LEVULINATE	C01401
L-methionine	C5H11O2S1N1	149.208	83	MET	C00073
L-proline	C5H9O2N1	115.132	215	PRO	C00148
L-serine	C3H7O3N1	105.093	89	Serines	C00716
L-glutamate	C5H9O4N1	147.13	38	GLT	C00302
O-antigen				O-Antigens
dATP	C10H16P3O12N5	491.183	133	DATP	C00131
dGTP	C10H16P3O13N5	507.182	194	DGTP	C00286
dTTP	C10H17P3O14N2	482.168	137	TTP	C00459
dCTP	C9H16P3O13N3	467.157	161	DCTP	C00458
phosphatidylglycerol	C14H25P1O10R2	384.318	550		C00344
cardiolipin	C25H42P2O17R4	676.542	652	CARDIOLIPIN	C05980
phosphatidylethanolamine	C13H24P1O8N1R2	353.308	427	L-1-GLYCEROPHOSPHORYLETHANOL-AMINE	C00350
a_peptidoglycan_with_D,D_cross-links_(meso-diaminopimelate_containing)
CTP	C9H16P3O14N3	483.156	56	CTP	C00063
GTP	C10H16P3O14N5	523.181	35	GTP	C00044
ATP	C10H16P3O13N5	507.182	7	ATP	C00002
UTP	C9H15P3O15N2	484.14	61	UTP	C00075
pyridoxal_5'-phosphate	C8H11O3N1	169.18	30	PYRIDOXINE	C00018
riboflavin	C17H20O6N4	376.369	298	RIBOFLAVIN	C00255
guanylyl_molybdenum_cofactor	C20H26P2O15Mo1S2N10	868.501	4166	CPD-582	C19871
ubiquinol-8	C49H76O4	729.143	5168	CPD-9956
CoA	C21H36P3O16S1N7	767.534	10	CO-A	C00010
succinyl-CoA	C25H40P3O19S1N7	867.607	198	SUC-COA	C00091
molybdate	O4Mo1	159.946	424	CPD-3	C06232
5-methyl-tetrahydrofolate	C20H25O6N7	459.463	1036	5-METHYL-THF	C00440
acetyl-CoA	C23H38P3O17S1N7	809.571	27	ACETYL-COA	C00024
10-formyl-tetrahydrofolate	C20H23O7N7	473.446	445	10-FORMYL-DIHYDROFOLATE-GLU-N	C00234
putrescine	C4H12N2	88.154	144	PUTRESCINE	C00134
S-adenosyl-L-methionine	C15H22O5S1N6	398.438	22	S-ADENOSYLMETHIONINE	C00019
cytidylylmolybdenum_cofactor
chorismate	C10H10O6	226.184	182	CHORISMATE	C00251
glutathione	C10H17O6S1N3	307.321	41	GLUTATHIONE	C02471
NADPH	C21H30P3O17N7	745.425	5	NADH-P-OR-NOP	C00005
malonyl-CoA	C24H38P3O19S1N7	853.58	72	MALONYL-COA	C00083
NAD+	C21H29P3O17N7	744.417	4	NAD-P-OR-NOP	C00003
thiamin_diphosphate	C10H16P2O11N2	402.189	85	TDP	C00363
NADH	C21H29P2O14N7	665.446	3	NADH	C00004
tetrahydrofolate	C19H23O6N7	445.436	184	THF	C03541
3-demethylubiquinol-8	C48H74O4	715.116	113388	OCTAPRENYL-METHYL-OH-METHOXY-BENZQ	C05815
NADP+	C21H29P3O17N7	744.417	4	NAD-P-OR-NOP	C00003
adenosylcobalamin	C72H102P1Co1O17N18	1581.62	476	ADENOSYLCOBALAMIN	C00194
di-trans,octa-cis-undecaprenyl_diphosphate	C55H92P2O7	927.282	2308	CPD-9649	C04574
uroporphyrinogen-III	C40H44O16N4	836.804	1736	UROPORPHYRINOGEN-III	C02469
FAD	C27H33P2O15N9	785.557	14	FAD	C00016
5,10-methylenetetrahydrofolate	C20H23O6N7	457.447	336	METHYLENE-THF-GLU-N	C00143
H+	H1	1.008	2	PROTON	C00080
H2O	H2O1	18.015	1	WATER	C00001
phosphate	C17H29P1O13R2	472.38	12	L-1-phosphatidyl-inositols	C01194
ADP	C3H5P1O5	152.042	8	3-HYDROHYDROXYPHOSPHORYLPYRUVATE	C06368
NH3	H3N1	17.031	16	AMMONIA	C00014
Fe2+	Fe1	55.845	23	Cytochromes-C550-Red	C14818
Mg2+	Mg1	24.305	25	MG+2	C00305
Co2+	Co1	58.933	21	CO+2	C00175
F-	H1F1	20.006	158	F-	C00742
Cl-	H1Cl1	36.458	134	CL-	C00698
Zn2+	Zn1	65.38	19	ZN+2
3-(4-hydroxyphenyl)propanoate	C9H10O3	166.176	3766	PHLORETATE	C01744
benzoate	C7H1O2R5	117.083	271	Aromatic-Acid	C00539
nitrate	N1O3	62.004	263	NITRATE	C00244
nitrite	H1N1O2	47.013	155	NITRITE	C00088
potassium	K1	39.098	37	K+
acetate	C2H4O2	60.052	44	ACET	C00033
4-ethylphenol	C8H10O1	122.167	2360	CPD-10596	C13637
4-hydroxybenzoate	C7H6O3	138.122	311	4-hydroxybenzoate	C00156
sulfate	H2O4S1	98.072	148	SULFATE	C00059
heme	C34H34O4N4Fe1	618.515	45	CPD-11675	C00032
phenylacetate	C8H8O2	136.15	624	PHENYLACETATE	C00548
phthalate	C8H6O4	166.132	2060	PHTHALATE	C01606
cyclohexanecarboxylate	C7H12O2	128.171	21317	CPD-575	C09822
benzylamine	C7H9N1	107.156	441	BENZYLAMINE	C15562
(indol-3-yl)acetate	C10H9O2N1	175.187	2122	INDOLE_ACETATE_AUXIN	C00954
benzaldehyde	C7H1O1R5	101.084	138	Aryl-Aldehyde	C00193
4-cresol	C8H10O2	138.166	1237	CPD-108	C01468
phenol	C7H8O1	108.14	219	BENZYL-ALCOHOL	C00556
toluene	C7H8	92.141	1011	TOLUENE	C01455
ethylbenzene	C8H10	106.168	2326	ETHYLBENZENE	C07111
3-hydroxybenzoate	C7H6O3	138.122	768	3-HYDROXYBENZOATE	C00587
succinate	C4H6O4	118.088	54	Alpha-omega-dicarboxylates	C04025
3-phenylpropanoate	C9H10O2	150.177	2450	3-PHENYLPROPIONATE	C05629
S-adenosyl-L-homocysteine	C14H20O5S1N6	384.411	34	ADENOSYL-HOMO-CYS	C00021
(S)-malate	C4H6O5	134.087	180	MAL	C00149
fumarate	C4H4O4	116.072	156	FUM	C00122
2-oxoglutarate	C5H6O5	146.098	32	2-KETOGLUTARATE	C00026

100

Metabolite	Reaction-ID
L-phenylalanine	1
L-phenylalanine	36
L-phenylalanine	124
L-phenylalanine	305
L-phenylalanine	692
L-tyrosine	1
L-tyrosine	307
L-tyrosine	676
L-lysine	1
L-lysine	281
L-isoleucine	1
L-isoleucine	294
L-arginine	1
L-arginine	257
L-threonine	1
L-threonine	77
L-threonine	274
L-threonine	290
L-tryptophan	1
L-tryptophan	312
L-aspartate	1
L-aspartate	54
L-aspartate	97
L-aspartate	117
L-aspartate	237
L-aspartate	238
L-aspartate	239
L-aspartate	256
L-aspartate	266
L-aspartate	346
L-aspartate	350
L-aspartate	386
L-aspartate	562
L-aspartate	574
L-aspartate	575
L-glutamine	1
L-glutamine	235
L-glutamine	236
L-glutamine	238
L-glutamine	249
L-glutamine	308
L-glutamine	317
L-glutamine	339
L-glutamine	342
L-glutamine	354
L-glutamine	394
L-glutamine	482
L-glutamine	591
L-glutamine	623
L-glutamine	637
L-glutamine	640
L-glutamine	659
L-valine	1
L-valine	285
L-histidine	1
L-histidine	322
L-histidine	328
L-asparagine	1
L-asparagine	238
L-asparagine	239
L-leucine	1
L-leucine	289
glycine	1
glycine	213
glycine	217
glycine	261
glycine	263
glycine	340
L-cysteine	1
L-cysteine	212
L-cysteine	217
L-cysteine	265
L-cysteine	570
L-cysteine	614
L-cysteine	666
L-cysteine	675
L-alanine	1
L-alanine	22
L-alanine	134
L-alanine	240
L-alanine	241
L-alanine	242
L-alanine	538
L-alanine	614
L-alanine	657
L-alanine	658
L-alanine	666
L-alanine	675
L-methionine	1
L-methionine	275
L-methionine	563
L-methionine	612
L-methionine	630
L-methionine	662
L-methionine	667
L-methionine	676
L-methionine	679
L-proline	1
L-proline	23