Mercurial > repos > tduigou > rptools_rpthermo
comparison test-data/rp_003_0001.xml @ 0:e9d05fc83186 draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 2333b7b56422febf439cd9f4cd3e6eda858b2690
author | tduigou |
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date | Tue, 28 Mar 2023 12:08:14 +0000 |
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-1:000000000000 | 0:e9d05fc83186 |
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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="d4bfc4fec7c42e9de20c2ade1a21933a8c1ca015d4ca77b2b5f95790e798931c" id="RP_model_003_0001" name="003_0001" 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="a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1" id="MNXM11" name="MNXM11" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
27 <annotation> | |
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30 <bqbiol:is> | |
31 <rdf:Bag/> | |
32 </bqbiol:is> | |
33 </rdf:Description> | |
34 <rdf:BRSynth rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1"> | |
35 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
36 <brsynth:smiles value="O=P(O)(O)OP(=O)(O)O"/> | |
37 <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/> | |
38 <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/> | |
39 <brsynth:fba_biomass_shadow_price> | |
40 <brsynth:value value="None"/> | |
41 </brsynth:fba_biomass_shadow_price> | |
42 <brsynth:fba_fraction_shadow_price> | |
43 <brsynth:value value="None"/> | |
44 </brsynth:fba_fraction_shadow_price> | |
45 <brsynth:thermo_standard_dg_formation> | |
46 <brsynth:value value="-1966.8036657706114"/> | |
47 <brsynth:units value="kilojoule / mole"/> | |
48 </brsynth:thermo_standard_dg_formation> | |
49 </brsynth:brsynth> | |
50 </rdf:BRSynth> | |
51 </rdf:RDF> | |
52 </annotation> | |
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54 <species metaid="_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002" id="TARGET_0000000001" name="TARGET_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
55 <annotation> | |
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58 <bqbiol:is> | |
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61 </rdf:Description> | |
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65 <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"/> | |
66 <brsynth:inchikey value="OAIJSZIZWZSQBC-UHFFFAOYSA-N"/> | |
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69 </brsynth:fba_biomass_shadow_price> | |
70 <brsynth:fba_fraction_shadow_price> | |
71 <brsynth:value value="-1.0"/> | |
72 </brsynth:fba_fraction_shadow_price> | |
73 <brsynth:thermo_standard_dg_formation> | |
74 <brsynth:value value="1245.5794452419402"/> | |
75 <brsynth:units value="kilojoule / mole"/> | |
76 </brsynth:thermo_standard_dg_formation> | |
77 </brsynth:brsynth> | |
78 </rdf:BRSynth> | |
79 </rdf:RDF> | |
80 </annotation> | |
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82 <species metaid="_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858" id="CMPD_0000000003" name="CMPD_0000000003" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
83 <annotation> | |
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93 <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)"/> | |
94 <brsynth:inchikey value="OINNEUNVOZHBOX-UHFFFAOYSA-N"/> | |
95 <brsynth:fba_biomass_shadow_price> | |
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97 </brsynth:fba_biomass_shadow_price> | |
98 <brsynth:fba_fraction_shadow_price> | |
99 <brsynth:value value="-0.9959432048681541"/> | |
100 </brsynth:fba_fraction_shadow_price> | |
101 <brsynth:thermo_standard_dg_formation> | |
102 <brsynth:value value="-1495.8281099920857"/> | |
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> | |
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111 <annotation> | |
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122 <brsynth:inchikey value="NUHSROFQTUXZQQ-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="-1828.3274439664424"/> | |
131 <brsynth:units value="kilojoule / mole"/> | |
132 </brsynth:thermo_standard_dg_formation> | |
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134 </rdf:BRSynth> | |
135 </rdf:RDF> | |
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139 <annotation> | |
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150 <brsynth:inchikey value="VWFJDQUYCIWHTN-UHFFFAOYSA-N"/> | |
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152 <brsynth:value value="None"/> | |
153 </brsynth:fba_biomass_shadow_price> | |
154 <brsynth:fba_fraction_shadow_price> | |
155 <brsynth:value value="None"/> | |
156 </brsynth:fba_fraction_shadow_price> | |
157 <brsynth:thermo_standard_dg_formation> | |
158 <brsynth:value value="-1607.8991259717538"/> | |
159 <brsynth:units value="kilojoule / mole"/> | |
160 </brsynth:thermo_standard_dg_formation> | |
161 </brsynth:brsynth> | |
162 </rdf:BRSynth> | |
163 </rdf:RDF> | |
164 </annotation> | |
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167 <annotation> | |
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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="-2261.3806478863044"/> | |
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="b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46" id="CMPD_0000000001" name="CMPD_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
195 <annotation> | |
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206 <brsynth:inchikey value="YVLPJIGOMTXXLP-UHFFFAOYSA-N"/> | |
207 <brsynth:fba_biomass_shadow_price> | |
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209 </brsynth:fba_biomass_shadow_price> | |
210 <brsynth:fba_fraction_shadow_price> | |
211 <brsynth:value value="-1.0"/> | |
212 </brsynth:fba_fraction_shadow_price> | |
213 <brsynth:thermo_standard_dg_formation> | |
214 <brsynth:value value="936.7141451846444"/> | |
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="_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39" id="MNXM24" name="MNXM24" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
223 <annotation> | |
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226 <bqbiol:is> | |
227 <rdf:Bag/> | |
228 </bqbiol:is> | |
229 </rdf:Description> | |
230 <rdf:BRSynth rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39"> | |
231 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
232 <brsynth:smiles/> | |
233 <brsynth:inchi/> | |
234 <brsynth:inchikey/> | |
235 <brsynth:fba_biomass_shadow_price> | |
236 <brsynth:value value="None"/> | |
237 </brsynth:fba_biomass_shadow_price> | |
238 <brsynth:fba_fraction_shadow_price> | |
239 <brsynth:value value="None"/> | |
240 </brsynth:fba_fraction_shadow_price> | |
241 <brsynth:thermo_standard_dg_formation> | |
242 <brsynth:value value="-2256.1898491337233"/> | |
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/2.5.1.10"/> | |
263 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.68"/> | |
264 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.29"/> | |
265 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1"/> | |
266 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.-"/> | |
267 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.88"/> | |
268 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.81"/> | |
269 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.31"/> | |
270 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.84"/> | |
271 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.85"/> | |
272 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.92"/> | |
273 </rdf:Bag> | |
274 </bqbiol:is> | |
275 </rdf:Description> | |
276 <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> | |
277 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
278 <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])[H].[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H]>>[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"/> | |
279 <brsynth:rp2_transfo_id value="TRS_0_2_742"/> | |
280 <brsynth:rule_ids> | |
281 <brsynth:RR-02-07adee9ac9c42c7d-14-F/> | |
282 <brsynth:RR-02-1494429c7e6e0694-14-F/> | |
283 <brsynth:RR-02-1d50852f3f343682-14-F/> | |
284 <brsynth:RR-02-3bf131230c6b2bf2-14-F/> | |
285 <brsynth:RR-02-58d0f0d25e47b74a-14-F/> | |
286 <brsynth:RR-02-b3db29f084fc7a81-14-F/> | |
287 <brsynth:RR-02-f9759fe03c57b29f-14-F/> | |
288 </brsynth:rule_ids> | |
289 <brsynth:tmpl_rxn_ids> | |
290 <brsynth:MNXR100137/> | |
291 <brsynth:MNXR112247/> | |
292 <brsynth:MNXR116653/> | |
293 <brsynth:MNXR100621/> | |
294 <brsynth:MNXR99634/> | |
295 <brsynth:MNXR112069/> | |
296 <brsynth:MNXR99650/> | |
297 <brsynth:MNXR109677/> | |
298 <brsynth:MNXR113141/> | |
299 <brsynth:MNXR105052/> | |
300 <brsynth:MNXR109713/> | |
301 <brsynth:MNXR110950/> | |
302 <brsynth:MNXR110952/> | |
303 <brsynth:MNXR112246/> | |
304 <brsynth:MNXR112250/> | |
305 <brsynth:MNXR112251/> | |
306 <brsynth:MNXR112252/> | |
307 <brsynth:MNXR116656/> | |
308 <brsynth:MNXR117266/> | |
309 <brsynth:MNXR139515/> | |
310 <brsynth:MNXR139637/> | |
311 <brsynth:MNXR112249/> | |
312 <brsynth:MNXR116655/> | |
313 <brsynth:MNXR103150/> | |
314 <brsynth:MNXR112248/> | |
315 <brsynth:MNXR116654/> | |
316 </brsynth:tmpl_rxn_ids> | |
317 <brsynth:rule_score value="0.7358363677022237"/> | |
318 <brsynth:idx_in_path value="1"/> | |
319 <brsynth:selenzy/> | |
320 <brsynth:fba_biomass> | |
321 <brsynth:value value="0.0"/> | |
322 <brsynth:units value="gDW / gDW / hour"/> | |
323 </brsynth:fba_biomass> | |
324 <brsynth:fba_fraction> | |
325 <brsynth:value value="0.4741875610167627"/> | |
326 <brsynth:units value="milimole / gDW / hour"/> | |
327 </brsynth:fba_fraction> | |
328 <brsynth:thermo_dG0_prime> | |
329 <brsynth:value value="-71.55654770059041"/> | |
330 <brsynth:error value="2.9407032504945367"/> | |
331 <brsynth:units value="kilojoule / mole"/> | |
332 </brsynth:thermo_dG0_prime> | |
333 <brsynth:thermo_dGm_prime> | |
334 <brsynth:value value="-71.55654770059041"/> | |
335 <brsynth:error value="2.9407032504945367"/> | |
336 <brsynth:units value="kilojoule / mole"/> | |
337 </brsynth:thermo_dGm_prime> | |
338 <brsynth:thermo_dG_prime> | |
339 <brsynth:value value="-71.55654770059041"/> | |
340 <brsynth:error value="2.9407032504945367"/> | |
341 <brsynth:units value="kilojoule / mole"/> | |
342 </brsynth:thermo_dG_prime> | |
343 <brsynth:thermo_dG> | |
344 <brsynth:value value="-26.40520582450108"/> | |
345 <brsynth:error value="2.9407032504945367"/> | |
346 <brsynth:units value="kilojoule / mole"/> | |
347 </brsynth:thermo_dG> | |
348 </brsynth:brsynth> | |
349 </rdf:BRSynth> | |
350 </rdf:RDF> | |
351 </annotation> | |
352 <listOfReactants> | |
353 <speciesReference species="MNXM34" stoichiometry="1" constant="true"/> | |
354 <speciesReference species="MNXM83" stoichiometry="1" constant="true"/> | |
355 </listOfReactants> | |
356 <listOfProducts> | |
357 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> | |
358 <speciesReference species="MNXM11" stoichiometry="1" constant="true"/> | |
359 </listOfProducts> | |
360 </reaction> | |
361 <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"> | |
362 <annotation> | |
363 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
364 <rdf:Description rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> | |
365 <bqbiol:is> | |
366 <rdf:Bag> | |
367 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.96"/> | |
368 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.99"/> | |
369 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.32"/> | |
370 </rdf:Bag> | |
371 </bqbiol:is> | |
372 </rdf:Description> | |
373 <rdf:BRSynth rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> | |
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376 <brsynth:rp2_transfo_id value="TRS_0_1_9"/> | |
377 <brsynth:rule_ids> | |
378 <brsynth:RR-02-bedda4e2f5001e0c-14-F/> | |
379 </brsynth:rule_ids> | |
380 <brsynth:tmpl_rxn_ids> | |
381 <brsynth:MNXR111250/> | |
382 <brsynth:MNXR111499/> | |
383 <brsynth:MNXR113543/> | |
384 <brsynth:MNXR118024/> | |
385 <brsynth:MNXR139549/> | |
386 </brsynth:tmpl_rxn_ids> | |
387 <brsynth:rule_score value="0.5518755963407151"/> | |
388 <brsynth:idx_in_path value="2"/> | |
389 <brsynth:selenzy/> | |
390 <brsynth:fba_biomass> | |
391 <brsynth:value value="0.0"/> | |
392 <brsynth:units value="gDW / gDW / hour"/> | |
393 </brsynth:fba_biomass> | |
394 <brsynth:fba_fraction> | |
395 <brsynth:value value="0.4741875610167627"/> | |
396 <brsynth:units value="milimole / gDW / hour"/> | |
397 </brsynth:fba_fraction> | |
398 <brsynth:thermo_dG0_prime> | |
399 <brsynth:value value="-119.13360567395966"/> | |
400 <brsynth:error value="11.000567449695138"/> | |
401 <brsynth:units value="kilojoule / mole"/> | |
402 </brsynth:thermo_dG0_prime> | |
403 <brsynth:thermo_dGm_prime> | |
404 <brsynth:value value="-153.36328074340173"/> | |
405 <brsynth:error value="11.000567449695138"/> | |
406 <brsynth:units value="kilojoule / mole"/> | |
407 </brsynth:thermo_dGm_prime> | |
408 <brsynth:thermo_dG_prime> | |
409 <brsynth:value value="-119.13360567395966"/> | |
410 <brsynth:error value="11.000567449695138"/> | |
411 <brsynth:units value="kilojoule / mole"/> | |
412 </brsynth:thermo_dG_prime> | |
413 <brsynth:thermo_dG> | |
414 <brsynth:value value="-1501.0650763644926"/> | |
415 <brsynth:error value="11.000567449695138"/> | |
416 <brsynth:units value="kilojoule / mole"/> | |
417 </brsynth:thermo_dG> | |
418 </brsynth:brsynth> | |
419 </rdf:BRSynth> | |
420 </rdf:RDF> | |
421 </annotation> | |
422 <listOfReactants> | |
423 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> | |
424 </listOfReactants> | |
425 <listOfProducts> | |
426 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> | |
427 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/> | |
428 </listOfProducts> | |
429 </reaction> | |
430 <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"> | |
431 <annotation> | |
432 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
433 <rdf:Description rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> | |
434 <bqbiol:is> | |
435 <rdf:Bag> | |
436 <rdf:li rdf:resource="http://identifiers.org/ec-code/1.3.99.31"/> | |
437 </rdf:Bag> | |
438 </bqbiol:is> | |
439 </rdf:Description> | |
440 <rdf:BRSynth rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> | |
441 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
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443 <brsynth:rp2_transfo_id value="TRS_0_0_1"/> | |
444 <brsynth:rule_ids> | |
445 <brsynth:RR-02-ae41ec5771136ea5-14-F/> | |
446 </brsynth:rule_ids> | |
447 <brsynth:tmpl_rxn_ids> | |
448 <brsynth:MNXR113128/> | |
449 </brsynth:tmpl_rxn_ids> | |
450 <brsynth:rule_score value="0.7358363677022237"/> | |
451 <brsynth:idx_in_path value="3"/> | |
452 <brsynth:selenzy/> | |
453 <brsynth:fba_biomass> | |
454 <brsynth:value value="0.0"/> | |
455 <brsynth:units value="gDW / gDW / hour"/> | |
456 </brsynth:fba_biomass> | |
457 <brsynth:fba_fraction> | |
458 <brsynth:value value="0.4741875610167627"/> | |
459 <brsynth:units value="milimole / gDW / hour"/> | |
460 </brsynth:fba_fraction> | |
461 <brsynth:thermo_dG0_prime> | |
462 <brsynth:value value="1191.8613577748536"/> | |
463 <brsynth:error value="44.93683979991009"/> | |
464 <brsynth:units value="kilojoule / mole"/> | |
465 </brsynth:thermo_dG0_prime> | |
466 <brsynth:thermo_dGm_prime> | |
467 <brsynth:value value="1191.8613577748536"/> | |
468 <brsynth:error value="44.93683979991009"/> | |
469 <brsynth:units value="kilojoule / mole"/> | |
470 </brsynth:thermo_dGm_prime> | |
471 <brsynth:thermo_dG_prime> | |
472 <brsynth:value value="1191.8613577748536"/> | |
473 <brsynth:error value="44.93683979991009"/> | |
474 <brsynth:units value="kilojoule / mole"/> | |
475 </brsynth:thermo_dG_prime> | |
476 <brsynth:thermo_dG> | |
477 <brsynth:value value="329.6284950676197"/> | |
478 <brsynth:error value="44.93683979991009"/> | |
479 <brsynth:units value="kilojoule / mole"/> | |
480 </brsynth:thermo_dG> | |
481 </brsynth:brsynth> | |
482 </rdf:BRSynth> | |
483 </rdf:RDF> | |
484 </annotation> | |
485 <listOfReactants> | |
486 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> | |
487 <speciesReference species="MNXM8975" stoichiometry="4" constant="true"/> | |
488 </listOfReactants> | |
489 <listOfProducts> | |
490 <speciesReference species="MNXM24" stoichiometry="4" constant="true"/> | |
491 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/> | |
492 </listOfProducts> | |
493 </reaction> | |
494 </listOfReactions> | |
495 <groups:listOfGroups> | |
496 <groups:group metaid="_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299" groups:id="rp_pathway" groups:kind="collection"> | |
497 <annotation> | |
498 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
499 <rdf:BRSynth rdf:about="#_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299"> | |
500 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
501 <brsynth:fba_biomass> | |
502 <brsynth:value value="0.8769972144269784"/> | |
503 <brsynth:units value="gDW / gDW / hour"/> | |
504 </brsynth:fba_biomass> | |
505 <brsynth:fba_fraction> | |
506 <brsynth:value value="0.4741875610167627"/> | |
507 <brsynth:units value="milimole / gDW / hour"/> | |
508 </brsynth:fba_fraction> | |
509 <brsynth:thermo_dG0_prime> | |
510 <brsynth:value value="1001.1712044003059"/> | |
511 <brsynth:error value="46.96681347490446"/> | |
512 <brsynth:units value="kilojoule / mole"/> | |
513 </brsynth:thermo_dG0_prime> | |
514 <brsynth:thermo_dGm_prime> | |
515 <brsynth:value value="966.9415293308639"/> | |
516 <brsynth:error value="46.96681347490446"/> | |
517 <brsynth:units value="kilojoule / mole"/> | |
518 </brsynth:thermo_dGm_prime> | |
519 <brsynth:thermo_dG_prime> | |
520 <brsynth:value value="1001.1712044003059"/> | |
521 <brsynth:error value="46.96681347490446"/> | |
522 <brsynth:units value="kilojoule / mole"/> | |
523 </brsynth:thermo_dG_prime> | |
524 <brsynth:thermo_dG> | |
525 <brsynth:value value="-1197.8417871213726"/> | |
526 <brsynth:error value="46.96681347490446"/> | |
527 <brsynth:units value="kilojoule / mole"/> | |
528 </brsynth:thermo_dG> | |
529 <brsynth:global_score value="0.975385755300522"/> | |
530 </brsynth:brsynth> | |
531 </rdf:BRSynth> | |
532 </rdf:RDF> | |
533 </annotation> | |
534 <groups:listOfMembers> | |
535 <groups:member groups:idRef="rxn_1"/> | |
536 <groups:member groups:idRef="rxn_2"/> | |
537 <groups:member groups:idRef="rxn_3"/> | |
538 </groups:listOfMembers> | |
539 </groups:group> | |
540 <groups:group metaid="_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a" groups:id="rp_intermediate_species" groups:kind="collection"> | |
541 <annotation> | |
542 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
543 <rdf:BRSynth rdf:about="#_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a"> | |
544 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
545 </rdf:BRSynth> | |
546 </rdf:RDF> | |
547 </annotation> | |
548 <groups:listOfMembers> | |
549 <groups:member groups:idRef="CMPD_0000000001"/> | |
550 <groups:member groups:idRef="CMPD_0000000003"/> | |
551 </groups:listOfMembers> | |
552 </groups:group> | |
553 <groups:group metaid="_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579" groups:id="rp_trunk_species" groups:kind="collection"> | |
554 <annotation> | |
555 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
556 <rdf:BRSynth rdf:about="#_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579"> | |
557 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
558 </rdf:BRSynth> | |
559 </rdf:RDF> | |
560 </annotation> | |
561 <groups:listOfMembers> | |
562 <groups:member groups:idRef="TARGET_0000000001"/> | |
563 <groups:member groups:idRef="CMPD_0000000003"/> | |
564 <groups:member groups:idRef="MNXM83"/> | |
565 <groups:member groups:idRef="MNXM34"/> | |
566 <groups:member groups:idRef="CMPD_0000000001"/> | |
567 </groups:listOfMembers> | |
568 </groups:group> | |
569 <groups:group metaid="_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378" groups:id="rp_completed_species" groups:kind="collection"> | |
570 <annotation> | |
571 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
572 <rdf:BRSynth rdf:about="#_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378"> | |
573 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
574 </rdf:BRSynth> | |
575 </rdf:RDF> | |
576 </annotation> | |
577 <groups:listOfMembers> | |
578 <groups:member groups:idRef="MNXM24"/> | |
579 <groups:member groups:idRef="MNXM11"/> | |
580 <groups:member groups:idRef="MNXM8975"/> | |
581 </groups:listOfMembers> | |
582 </groups:group> | |
583 <groups:group metaid="_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3" groups:id="rp_sink_species" groups:kind="collection"> | |
584 <annotation> | |
585 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
586 <rdf:BRSynth rdf:about="#_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3"> | |
587 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
588 </rdf:BRSynth> | |
589 </rdf:RDF> | |
590 </annotation> | |
591 <groups:listOfMembers> | |
592 <groups:member groups:idRef="MNXM11"/> | |
593 <groups:member groups:idRef="MNXM83"/> | |
594 <groups:member groups:idRef="MNXM34"/> | |
595 </groups:listOfMembers> | |
596 </groups:group> | |
597 <groups:group metaid="a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189" groups:id="rp_fba_ignored_species" groups:kind="collection"> | |
598 <annotation> | |
599 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
600 <rdf:BRSynth rdf:about="#a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189"> | |
601 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
602 </rdf:BRSynth> | |
603 </rdf:RDF> | |
604 </annotation> | |
605 <groups:listOfMembers> | |
606 <groups:member groups:idRef="MNXM24"/> | |
607 <groups:member groups:idRef="MNXM8975"/> | |
608 </groups:listOfMembers> | |
609 </groups:group> | |
610 <groups:group metaid="fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8" groups:id="rp_thermo_substituted_species" groups:kind="collection"> | |
611 <annotation> | |
612 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
613 <rdf:BRSynth rdf:about="#fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8"> | |
614 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
615 </rdf:BRSynth> | |
616 </rdf:RDF> | |
617 </annotation> | |
618 <groups:listOfMembers> | |
619 <groups:member groups:idRef="MNXM24"/> | |
620 <groups:member groups:idRef="TARGET_0000000001"/> | |
621 <groups:member groups:idRef="MNXM8975"/> | |
622 </groups:listOfMembers> | |
623 </groups:group> | |
624 </groups:listOfGroups> | |
625 </model> | |
626 </sbml> |