Mercurial > repos > tduigou > rptools_rpfba

comparison test-data/rp_002_0021.xml @ 0:21349603013a draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 3bc34bfc82850daa2229724c396dcd9454039273-dirty
author tduigou
date Wed, 16 Nov 2022 11:13:10 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:21349603013a
1 <?xml version="1.0" encoding="UTF-8"?>
2 <sbml xmlns="http://www.sbml.org/sbml/level3/version1/core" xmlns:groups="http://www.sbml.org/sbml/level3/version1/groups/version1" xmlns:fbc="http://www.sbml.org/sbml/level3/version1/fbc/version2" level="3" version="1" groups:required="false" fbc:required="false">
3 <model metaid="a9cc9409d25c0b3d10c2984625f4f08d3d0504a7022a8542a76d156ea34afa32" id="RP_model_002_0021" name="002_0021" substanceUnits="mole" timeUnits="second" extentUnits="mole" fbc:strict="true">
4 <listOfCompartments>
5 <compartment metaid="_2e7d2c03a9507ae265ecf5b5356885a53393a2029d241394997265a1a25aefc6" sboTerm="SBO:0000290" id="c" name="cytosol" size="1" constant="true">
6 <annotation>
7 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
8 <rdf:Description rdf:about="#_2e7d2c03a9507ae265ecf5b5356885a53393a2029d241394997265a1a25aefc6">
9 <bqbiol:is>
10 <rdf:Bag>
11 <rdf:li rdf:resource="http://identifiers.org/bigg.compartment/c"/>
12 <rdf:li rdf:resource="http://identifiers.org/bigg.compartment/c_c"/>
13 <rdf:li rdf:resource="http://identifiers.org/metanetx.compartment/MNXC3"/>
14 <rdf:li rdf:resource="http://identifiers.org/seed/c"/>
15 <rdf:li rdf:resource="http://identifiers.org/seed/c0"/>
16 <rdf:li rdf:resource="http://identifiers.org/seed/cytosol"/>
17 <rdf:li rdf:resource="http://identifiers.org/name/cytosol"/>
18 </rdf:Bag>
19 </bqbiol:is>
20 </rdf:Description>
21 </rdf:RDF>
22 </annotation>
23 </compartment>
24 </listOfCompartments>
25 <listOfSpecies>
26 <species metaid="b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46" id="CMPD_0000000001" name="CMPD_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
27 <annotation>
28 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
29 <rdf:Description rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46">
30 <bqbiol:is>
31 <rdf:Bag/>
32 </bqbiol:is>
33 </rdf:Description>
34 <rdf:BRSynth rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46">
35 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
36 <brsynth:smiles value="[H]C(=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]"/>
37 <brsynth:inchi value="InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3"/>
38 <brsynth:inchikey value="YVLPJIGOMTXXLP-UHFFFAOYSA-N"/>
39 <brsynth:fba_biomass_shadow_price>
40 <brsynth:value value="-0.0"/>
41 </brsynth:fba_biomass_shadow_price>
42 <brsynth:fba_fraction_shadow_price>
43 <brsynth:value value="-1.0"/>
44 </brsynth:fba_fraction_shadow_price>
45 <brsynth:thermo_standard_dg_formation>
46 <brsynth:value value="936.7141451846444"/>
47 <brsynth:units value="kilojoule / mole"/>
48 </brsynth:thermo_standard_dg_formation>
49 </brsynth:brsynth>
50 </rdf:BRSynth>
51 </rdf:RDF>
52 </annotation>
53 </species>
54 <species metaid="_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0" id="MNXM83" name="MNXM83" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
55 <annotation>
56 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
57 <rdf:Description rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0">
58 <bqbiol:is>
59 <rdf:Bag/>
60 </bqbiol:is>
61 </rdf:Description>
62 <rdf:BRSynth rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0">
63 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
64 <brsynth:smiles value="[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H]"/>
65 <brsynth:inchi value="InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)"/>
66 <brsynth:inchikey value="NUHSROFQTUXZQQ-UHFFFAOYSA-N"/>
67 <brsynth:fba_biomass_shadow_price>
68 <brsynth:value value="None"/>
69 </brsynth:fba_biomass_shadow_price>
70 <brsynth:fba_fraction_shadow_price>
71 <brsynth:value value="None"/>
72 </brsynth:fba_fraction_shadow_price>
73 <brsynth:thermo_standard_dg_formation>
74 <brsynth:value value="-1828.3274439664424"/>
75 <brsynth:units value="kilojoule / mole"/>
76 </brsynth:thermo_standard_dg_formation>
77 </brsynth:brsynth>
78 </rdf:BRSynth>
79 </rdf:RDF>
80 </annotation>
81 </species>
82 <species metaid="_53be86b11fa13c25dcb440bba6ef77b51b257a3674e6b2a0b88d272dc0a014cb" id="MNXM35" name="MNXM35" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
83 <annotation>
84 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
85 <rdf:Description rdf:about="#_53be86b11fa13c25dcb440bba6ef77b51b257a3674e6b2a0b88d272dc0a014cb">
86 <bqbiol:is>
87 <rdf:Bag/>
88 </bqbiol:is>
89 </rdf:Description>
90 <rdf:BRSynth rdf:about="#_53be86b11fa13c25dcb440bba6ef77b51b257a3674e6b2a0b88d272dc0a014cb">
91 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
92 <brsynth:smiles/>
93 <brsynth:inchi/>
94 <brsynth:inchikey/>
95 <brsynth:fba_biomass_shadow_price>
96 <brsynth:value value="None"/>
97 </brsynth:fba_biomass_shadow_price>
98 <brsynth:fba_fraction_shadow_price>
99 <brsynth:value value="None"/>
100 </brsynth:fba_fraction_shadow_price>
101 <brsynth:thermo_standard_dg_formation>
102 <brsynth:value value="-2172.1728715236113"/>
103 <brsynth:units value="kilojoule / mole"/>
104 </brsynth:thermo_standard_dg_formation>
105 </brsynth:brsynth>
106 </rdf:BRSynth>
107 </rdf:RDF>
108 </annotation>
109 </species>
110 <species metaid="a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1" id="MNXM11" name="MNXM11" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
111 <annotation>
112 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
113 <rdf:Description rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1">
114 <bqbiol:is>
115 <rdf:Bag/>
116 </bqbiol:is>
117 </rdf:Description>
118 <rdf:BRSynth rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1">
119 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
120 <brsynth:smiles value="O=P(O)(O)OP(=O)(O)O"/>
121 <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/>
122 <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/>
123 <brsynth:fba_biomass_shadow_price>
124 <brsynth:value value="None"/>
125 </brsynth:fba_biomass_shadow_price>
126 <brsynth:fba_fraction_shadow_price>
127 <brsynth:value value="None"/>
128 </brsynth:fba_fraction_shadow_price>
129 <brsynth:thermo_standard_dg_formation>
130 <brsynth:value value="-1966.8036657706114"/>
131 <brsynth:units value="kilojoule / mole"/>
132 </brsynth:thermo_standard_dg_formation>
133 </brsynth:brsynth>
134 </rdf:BRSynth>
135 </rdf:RDF>
136 </annotation>
137 </species>
138 <species metaid="_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002" id="TARGET_0000000001" name="TARGET_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
139 <annotation>
140 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
141 <rdf:Description rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002">
142 <bqbiol:is>
143 <rdf:Bag/>
144 </bqbiol:is>
145 </rdf:Description>
146 <rdf:BRSynth rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002">
147 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
148 <brsynth:smiles value="[H]C(=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]"/>
149 <brsynth:inchi value="InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3"/>
150 <brsynth:inchikey value="OAIJSZIZWZSQBC-UHFFFAOYSA-N"/>
151 <brsynth:fba_biomass_shadow_price>
152 <brsynth:value value="-0.0"/>
153 </brsynth:fba_biomass_shadow_price>
154 <brsynth:fba_fraction_shadow_price>
155 <brsynth:value value="-1.0"/>
156 </brsynth:fba_fraction_shadow_price>
157 <brsynth:thermo_standard_dg_formation>
158 <brsynth:value value="1245.5794452419402"/>
159 <brsynth:units value="kilojoule / mole"/>
160 </brsynth:thermo_standard_dg_formation>
161 </brsynth:brsynth>
162 </rdf:BRSynth>
163 </rdf:RDF>
164 </annotation>
165 </species>
166 <species metaid="_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39" id="MNXM24" name="MNXM24" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
167 <annotation>
168 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
169 <rdf:Description rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39">
170 <bqbiol:is>
171 <rdf:Bag/>
172 </bqbiol:is>
173 </rdf:Description>
174 <rdf:BRSynth rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39">
175 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
176 <brsynth:smiles/>
177 <brsynth:inchi/>
178 <brsynth:inchikey/>
179 <brsynth:fba_biomass_shadow_price>
180 <brsynth:value value="None"/>
181 </brsynth:fba_biomass_shadow_price>
182 <brsynth:fba_fraction_shadow_price>
183 <brsynth:value value="None"/>
184 </brsynth:fba_fraction_shadow_price>
185 <brsynth:thermo_standard_dg_formation>
186 <brsynth:value value="-2256.1898491337233"/>
187 <brsynth:units value="kilojoule / mole"/>
188 </brsynth:thermo_standard_dg_formation>
189 </brsynth:brsynth>
190 </rdf:BRSynth>
191 </rdf:RDF>
192 </annotation>
193 </species>
194 <species metaid="_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36" id="MNXM100" name="MNXM100" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
195 <annotation>
196 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
197 <rdf:Description rdf:about="#_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36">
198 <bqbiol:is>
199 <rdf:Bag/>
200 </bqbiol:is>
201 </rdf:Description>
202 <rdf:BRSynth rdf:about="#_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36">
203 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
204 <brsynth:smiles value="[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]"/>
205 <brsynth:inchi value="InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)"/>
206 <brsynth:inchikey value="GVVPGTZRZFNKDS-UHFFFAOYSA-N"/>
207 <brsynth:fba_biomass_shadow_price>
208 <brsynth:value value="None"/>
209 </brsynth:fba_biomass_shadow_price>
210 <brsynth:fba_fraction_shadow_price>
211 <brsynth:value value="None"/>
212 </brsynth:fba_fraction_shadow_price>
213 <brsynth:thermo_standard_dg_formation>
214 <brsynth:value value="-1719.970141951422"/>
215 <brsynth:units value="kilojoule / mole"/>
216 </brsynth:thermo_standard_dg_formation>
217 </brsynth:brsynth>
218 </rdf:BRSynth>
219 </rdf:RDF>
220 </annotation>
221 </species>
222 <species metaid="_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858" id="CMPD_0000000003" name="CMPD_0000000003" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
223 <annotation>
224 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
225 <rdf:Description rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858">
226 <bqbiol:is>
227 <rdf:Bag/>
228 </bqbiol:is>
229 </rdf:Description>
230 <rdf:BRSynth rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858">
231 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
232 <brsynth:smiles value="[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]"/>
233 <brsynth:inchi value="InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)"/>
234 <brsynth:inchikey value="OINNEUNVOZHBOX-UHFFFAOYSA-N"/>
235 <brsynth:fba_biomass_shadow_price>
236 <brsynth:value value="-0.0018808381539568808"/>
237 </brsynth:fba_biomass_shadow_price>
238 <brsynth:fba_fraction_shadow_price>
239 <brsynth:value value="-0.9946091644204852"/>
240 </brsynth:fba_fraction_shadow_price>
241 <brsynth:thermo_standard_dg_formation>
242 <brsynth:value value="-1495.8281099920857"/>
243 <brsynth:units value="kilojoule / mole"/>
244 </brsynth:thermo_standard_dg_formation>
245 </brsynth:brsynth>
246 </rdf:BRSynth>
247 </rdf:RDF>
248 </annotation>
249 </species>
250 </listOfSpecies>
251 <listOfParameters>
252 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_10000_0" value="10000" constant="true"/>
253 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_0_0" value="0" constant="true"/>
254 </listOfParameters>
255 <listOfReactions>
256 <reaction metaid="_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4" sboTerm="SBO:0000176" id="rxn_1" reversible="false" fast="false" fbc:lowerFluxBound="BRS_FBC_0_0" fbc:upperFluxBound="BRS_FBC_10000_0">
257 <annotation>
258 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
259 <rdf:Description rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4">
260 <bqbiol:is>
261 <rdf:Bag>
262 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.82"/>
263 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.29"/>
264 </rdf:Bag>
265 </bqbiol:is>
266 </rdf:Description>
267 <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4">
268 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
269 <brsynth:smiles value="[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H].[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H]&gt;&gt;[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H].O=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O"/>
270 <brsynth:rp2_transfo_id value="TRS_0_2_740"/>
271 <brsynth:rule_ids>
272 <brsynth:RR-02-0c33a3bfd9bf5ad5-14-F/>
273 <brsynth:RR-02-6692e4af37fbca2d-14-F/>
274 </brsynth:rule_ids>
275 <brsynth:tmpl_rxn_ids>
276 <brsynth:MNXR132231/>
277 <brsynth:MNXR112683/>
278 </brsynth:tmpl_rxn_ids>
279 <brsynth:rule_score value="0.5706379442030705"/>
280 <brsynth:idx_in_path value="1"/>
281 <brsynth:selenzy/>
282 <brsynth:fba_biomass>
283 <brsynth:value value="0.0"/>
284 <brsynth:units value="gDW / gDW / hour"/>
285 </brsynth:fba_biomass>
286 <brsynth:fba_fraction>
287 <brsynth:value value="0.6301198587096054"/>
288 <brsynth:units value="milimole / gDW / hour"/>
289 </brsynth:fba_fraction>
290 <brsynth:thermo_dG0_prime>
291 <brsynth:value value="-1544.3333670420595"/>
292 <brsynth:error value="4.6679220722885155"/>
293 <brsynth:units value="kilojoule / mole"/>
294 </brsynth:thermo_dG0_prime>
295 <brsynth:thermo_dGm_prime>
296 <brsynth:value value="-1561.4482045767807"/>
297 <brsynth:error value="4.6679220722885155"/>
298 <brsynth:units value="kilojoule / mole"/>
299 </brsynth:thermo_dGm_prime>
300 <brsynth:thermo_dG_prime>
301 <brsynth:value value="-1544.3333670420595"/>
302 <brsynth:error value="4.6679220722885155"/>
303 <brsynth:units value="kilojoule / mole"/>
304 </brsynth:thermo_dG_prime>
305 <brsynth:thermo_dG>
306 <brsynth:value value="-1881.1378556154446"/>
307 <brsynth:error value="4.6679220722885155"/>
308 <brsynth:units value="kilojoule / mole"/>
309 </brsynth:thermo_dG>
310 </brsynth:brsynth>
311 </rdf:BRSynth>
312 </rdf:RDF>
313 </annotation>
314 <listOfReactants>
315 <speciesReference species="MNXM100" stoichiometry="1" constant="true"/>
316 <speciesReference species="MNXM83" stoichiometry="1" constant="true"/>
317 </listOfReactants>
318 <listOfProducts>
319 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
320 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/>
321 </listOfProducts>
322 </reaction>
323 <reaction metaid="c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff" sboTerm="SBO:0000176" id="rxn_2" reversible="false" fast="false" fbc:lowerFluxBound="BRS_FBC_0_0" fbc:upperFluxBound="BRS_FBC_10000_0">
324 <annotation>
325 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
326 <rdf:Description rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff">
327 <bqbiol:is>
328 <rdf:Bag>
329 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.96"/>
330 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.99"/>
331 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.32"/>
332 </rdf:Bag>
333 </bqbiol:is>
334 </rdf:Description>
335 <rdf:BRSynth rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff">
336 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
337 <brsynth:smiles value="[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]&gt;&gt;[H]C(=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H].O=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O"/>
338 <brsynth:rp2_transfo_id value="TRS_0_1_9"/>
339 <brsynth:rule_ids>
340 <brsynth:RR-02-bedda4e2f5001e0c-14-F/>
341 </brsynth:rule_ids>
342 <brsynth:tmpl_rxn_ids>
343 <brsynth:MNXR111250/>
344 <brsynth:MNXR111499/>
345 <brsynth:MNXR113543/>
346 <brsynth:MNXR118024/>
347 <brsynth:MNXR139549/>
348 </brsynth:tmpl_rxn_ids>
349 <brsynth:rule_score value="0.5518755963407151"/>
350 <brsynth:idx_in_path value="2"/>
351 <brsynth:selenzy/>
352 <brsynth:fba_biomass>
353 <brsynth:value value="0.0"/>
354 <brsynth:units value="gDW / gDW / hour"/>
355 </brsynth:fba_biomass>
356 <brsynth:fba_fraction>
357 <brsynth:value value="0.6301198587096054"/>
358 <brsynth:units value="milimole / gDW / hour"/>
359 </brsynth:fba_fraction>
360 <brsynth:thermo_dG0_prime>
361 <brsynth:value value="-119.13360567395966"/>
362 <brsynth:error value="11.000567449695138"/>
363 <brsynth:units value="kilojoule / mole"/>
364 </brsynth:thermo_dG0_prime>
365 <brsynth:thermo_dGm_prime>
366 <brsynth:value value="-153.36328074340173"/>
367 <brsynth:error value="11.000567449695138"/>
368 <brsynth:units value="kilojoule / mole"/>
369 </brsynth:thermo_dGm_prime>
370 <brsynth:thermo_dG_prime>
371 <brsynth:value value="-119.13360567395966"/>
372 <brsynth:error value="11.000567449695138"/>
373 <brsynth:units value="kilojoule / mole"/>
374 </brsynth:thermo_dG_prime>
375 <brsynth:thermo_dG>
376 <brsynth:value value="-1501.0650763644926"/>
377 <brsynth:error value="11.000567449695138"/>
378 <brsynth:units value="kilojoule / mole"/>
379 </brsynth:thermo_dG>
380 </brsynth:brsynth>
381 </rdf:BRSynth>
382 </rdf:RDF>
383 </annotation>
384 <listOfReactants>
385 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
386 </listOfReactants>
387 <listOfProducts>
388 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
389 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/>
390 </listOfProducts>
391 </reaction>
392 <reaction metaid="_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d" sboTerm="SBO:0000176" id="rxn_3" reversible="false" fast="false" fbc:lowerFluxBound="BRS_FBC_0_0" fbc:upperFluxBound="BRS_FBC_10000_0">
393 <annotation>
394 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
395 <rdf:Description rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d">
396 <bqbiol:is>
397 <rdf:Bag>
398 <rdf:li rdf:resource="http://identifiers.org/ec-code/1.3.99.31"/>
399 </rdf:Bag>
400 </bqbiol:is>
401 </rdf:Description>
402 <rdf:BRSynth rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d">
403 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
404 <brsynth:smiles value="[H]C(=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]&gt;&gt;[H]C(=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]"/>
405 <brsynth:rp2_transfo_id value="TRS_0_0_1"/>
406 <brsynth:rule_ids>
407 <brsynth:RR-02-ae41ec5771136ea5-14-F/>
408 </brsynth:rule_ids>
409 <brsynth:tmpl_rxn_ids>
410 <brsynth:MNXR125832/>
411 </brsynth:tmpl_rxn_ids>
412 <brsynth:rule_score value="0.7358363677022237"/>
413 <brsynth:idx_in_path value="3"/>
414 <brsynth:selenzy/>
415 <brsynth:fba_biomass>
416 <brsynth:value value="0.0"/>
417 <brsynth:units value="gDW / gDW / hour"/>
418 </brsynth:fba_biomass>
419 <brsynth:fba_fraction>
420 <brsynth:value value="0.6301198587096054"/>
421 <brsynth:units value="milimole / gDW / hour"/>
422 </brsynth:fba_fraction>
423 <brsynth:thermo_dG0_prime>
424 <brsynth:value value="162.18254376952495"/>
425 <brsynth:error value="12.808033567928218"/>
426 <brsynth:units value="kilojoule / mole"/>
427 </brsynth:thermo_dG0_prime>
428 <brsynth:thermo_dGm_prime>
429 <brsynth:value value="162.18254376952495"/>
430 <brsynth:error value="12.808033567928218"/>
431 <brsynth:units value="kilojoule / mole"/>
432 </brsynth:thermo_dGm_prime>
433 <brsynth:thermo_dG_prime>
434 <brsynth:value value="162.18254376952495"/>
435 <brsynth:error value="12.808033567928218"/>
436 <brsynth:units value="kilojoule / mole"/>
437 </brsynth:thermo_dG_prime>
438 <brsynth:thermo_dG>
439 <brsynth:value value="-27.202610383152432"/>
440 <brsynth:error value="12.808033567928218"/>
441 <brsynth:units value="kilojoule / mole"/>
442 </brsynth:thermo_dG>
443 </brsynth:brsynth>
444 </rdf:BRSynth>
445 </rdf:RDF>
446 </annotation>
447 <listOfReactants>
448 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
449 <speciesReference species="MNXM35" stoichiometry="4" constant="true"/>
450 </listOfReactants>
451 <listOfProducts>
452 <speciesReference species="MNXM24" stoichiometry="4" constant="true"/>
453 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/>
454 </listOfProducts>
455 </reaction>
456 </listOfReactions>
457 <groups:listOfGroups>
458 <groups:group metaid="_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299" groups:id="rp_pathway" groups:kind="collection">
459 <annotation>
460 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
461 <rdf:BRSynth rdf:about="#_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299">
462 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
463 <brsynth:fba_biomass>
464 <brsynth:value value="0.8769972144269699"/>
465 <brsynth:units value="gDW / gDW / hour"/>
466 </brsynth:fba_biomass>
467 <brsynth:fba_fraction>
468 <brsynth:value value="0.6301198587096054"/>
469 <brsynth:units value="milimole / gDW / hour"/>
470 </brsynth:fba_fraction>
471 <brsynth:thermo_dG0_prime>
472 <brsynth:value value="-1501.2844289464938"/>
473 <brsynth:error value="21.427485792833885"/>
474 <brsynth:units value="kilojoule / mole"/>
475 </brsynth:thermo_dG0_prime>
476 <brsynth:thermo_dGm_prime>
477 <brsynth:value value="-1552.628941550657"/>
478 <brsynth:error value="21.427485792833885"/>
479 <brsynth:units value="kilojoule / mole"/>
480 </brsynth:thermo_dGm_prime>
481 <brsynth:thermo_dG_prime>
482 <brsynth:value value="-1501.2844289464938"/>
483 <brsynth:error value="21.427485792833885"/>
484 <brsynth:units value="kilojoule / mole"/>
485 </brsynth:thermo_dG_prime>
486 <brsynth:thermo_dG>
487 <brsynth:value value="-3409.405542363089"/>
488 <brsynth:error value="21.427485792833885"/>
489 <brsynth:units value="kilojoule / mole"/>
490 </brsynth:thermo_dG>
491 <brsynth:global_score value="0.9851486444473266"/>
492 </brsynth:brsynth>
493 </rdf:BRSynth>
494 </rdf:RDF>
495 </annotation>
496 <groups:listOfMembers>
497 <groups:member groups:idRef="rxn_1"/>
498 <groups:member groups:idRef="rxn_2"/>
499 <groups:member groups:idRef="rxn_3"/>
500 </groups:listOfMembers>
501 </groups:group>
502 <groups:group metaid="_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a" groups:id="rp_intermediate_species" groups:kind="collection">
503 <annotation>
504 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
505 <rdf:BRSynth rdf:about="#_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a">
506 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
507 </rdf:BRSynth>
508 </rdf:RDF>
509 </annotation>
510 <groups:listOfMembers>
511 <groups:member groups:idRef="CMPD_0000000001"/>
512 <groups:member groups:idRef="CMPD_0000000003"/>
513 </groups:listOfMembers>
514 </groups:group>
515 <groups:group metaid="_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579" groups:id="rp_trunk_species" groups:kind="collection">
516 <annotation>
517 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
518 <rdf:BRSynth rdf:about="#_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579">
519 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
520 </rdf:BRSynth>
521 </rdf:RDF>
522 </annotation>
523 <groups:listOfMembers>
524 <groups:member groups:idRef="CMPD_0000000001"/>
525 <groups:member groups:idRef="MNXM83"/>
526 <groups:member groups:idRef="TARGET_0000000001"/>
527 <groups:member groups:idRef="MNXM100"/>
528 <groups:member groups:idRef="CMPD_0000000003"/>
529 </groups:listOfMembers>
530 </groups:group>
531 <groups:group metaid="_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378" groups:id="rp_completed_species" groups:kind="collection">
532 <annotation>
533 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
534 <rdf:BRSynth rdf:about="#_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378">
535 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
536 </rdf:BRSynth>
537 </rdf:RDF>
538 </annotation>
539 <groups:listOfMembers>
540 <groups:member groups:idRef="MNXM35"/>
541 <groups:member groups:idRef="MNXM11"/>
542 <groups:member groups:idRef="MNXM24"/>
543 </groups:listOfMembers>
544 </groups:group>
545 <groups:group metaid="_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3" groups:id="rp_sink_species" groups:kind="collection">
546 <annotation>
547 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
548 <rdf:BRSynth rdf:about="#_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3">
549 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
550 </rdf:BRSynth>
551 </rdf:RDF>
552 </annotation>
553 <groups:listOfMembers>
554 <groups:member groups:idRef="MNXM83"/>
555 <groups:member groups:idRef="MNXM11"/>
556 <groups:member groups:idRef="MNXM100"/>
557 </groups:listOfMembers>
558 </groups:group>
559 <groups:group metaid="a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189" groups:id="rp_fba_ignored_species" groups:kind="collection">
560 <annotation>
561 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
562 <rdf:BRSynth rdf:about="#a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189">
563 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
564 </rdf:BRSynth>
565 </rdf:RDF>
566 </annotation>
567 <groups:listOfMembers>
568 <groups:member groups:idRef="MNXM35"/>
569 <groups:member groups:idRef="MNXM24"/>
570 </groups:listOfMembers>
571 </groups:group>
572 <groups:group metaid="fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8" groups:id="rp_thermo_substituted_species" groups:kind="collection">
573 <annotation>
574 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
575 <rdf:BRSynth rdf:about="#fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8">
576 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
577 </rdf:BRSynth>
578 </rdf:RDF>
579 </annotation>
580 <groups:listOfMembers>
581 <groups:member groups:idRef="MNXM35"/>
582 <groups:member groups:idRef="TARGET_0000000001"/>
583 <groups:member groups:idRef="MNXM24"/>
584 </groups:listOfMembers>
585 </groups:group>
586 </groups:listOfGroups>
587 </model>
588 </sbml>