comparison test-data/rp_001_0001.xml @ 0:a1764894d6ca draft

planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 3bc34bfc82850daa2229724c396dcd9454039273-dirty
author tduigou
date Wed, 16 Nov 2022 11:11:58 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:a1764894d6ca
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="a03e1bf0f20b54a66f7b4ce262ea6b0f7579c0a1e47144a649b9e2e711f6b3ed" id="RP_model_001_0001" name="001_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>
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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="_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4" id="MNXM8975" name="MNXM8975" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
27 <annotation>
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34 <rdf:BRSynth rdf:about="#_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4">
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36 <brsynth:smiles/>
37 <brsynth:inchi/>
38 <brsynth:inchikey/>
39 <brsynth:fba_biomass_shadow_price>
40 <brsynth:value value="None"/>
41 </brsynth:fba_biomass_shadow_price>
42 <brsynth:fba_fraction_shadow_price>
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44 </brsynth:fba_fraction_shadow_price>
45 <brsynth:thermo_standard_dg_formation>
46 <brsynth:value value="-2261.3806478863044"/>
47 <brsynth:units value="kilojoule / mole"/>
48 </brsynth:thermo_standard_dg_formation>
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51 </rdf:RDF>
52 </annotation>
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93 <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)"/>
94 <brsynth:inchikey value="NUHSROFQTUXZQQ-UHFFFAOYSA-N"/>
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149 <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/>
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154 <brsynth:fba_fraction_shadow_price>
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157 <brsynth:thermo_standard_dg_formation>
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162 </rdf:BRSynth>
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164 </annotation>
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167 <annotation>
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178 <brsynth:inchikey value="YVLPJIGOMTXXLP-UHFFFAOYSA-N"/>
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194 <species metaid="_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858" id="CMPD_0000000003" name="CMPD_0000000003" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
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205 <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)"/>
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233 <brsynth:inchi value="InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)"/>
234 <brsynth:inchikey value="CBIDRCWHNCKSTO-UHFFFAOYSA-N"/>
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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>
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266 <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4">
267 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu">
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269 <brsynth:rp2_transfo_id value="TRS_0_2_739"/>
270 <brsynth:rule_ids>
271 <brsynth:RR-02-90bcfd187709eb1b-14-F/>
272 </brsynth:rule_ids>
273 <brsynth:tmpl_rxn_ids>
274 <brsynth:MNXR132232/>
275 </brsynth:tmpl_rxn_ids>
276 <brsynth:rule_score value="0.5706379442030705"/>
277 <brsynth:idx_in_path value="1"/>
278 <brsynth:selenzy/>
279 <brsynth:fba_biomass>
280 <brsynth:value value="0.0"/>
281 <brsynth:units value="gDW / gDW / hour"/>
282 </brsynth:fba_biomass>
283 <brsynth:fba_fraction>
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286 </brsynth:fba_fraction>
287 <brsynth:thermo_dG0_prime>
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290 <brsynth:units value="kilojoule / mole"/>
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292 <brsynth:thermo_dGm_prime>
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295 <brsynth:units value="kilojoule / mole"/>
296 </brsynth:thermo_dGm_prime>
297 <brsynth:thermo_dG_prime>
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299 <brsynth:error value="7.250256007547839"/>
300 <brsynth:units value="kilojoule / mole"/>
301 </brsynth:thermo_dG_prime>
302 <brsynth:thermo_dG>
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304 <brsynth:error value="7.250256007547839"/>
305 <brsynth:units value="kilojoule / mole"/>
306 </brsynth:thermo_dG>
307 </brsynth:brsynth>
308 </rdf:BRSynth>
309 </rdf:RDF>
310 </annotation>
311 <listOfReactants>
312 <speciesReference species="MNXM132" stoichiometry="1" constant="true"/>
313 <speciesReference species="MNXM83" stoichiometry="1" constant="true"/>
314 </listOfReactants>
315 <listOfProducts>
316 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
317 <speciesReference species="MNXM11" stoichiometry="3" constant="true"/>
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319 </reaction>
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342 <brsynth:MNXR113543/>
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355 <brsynth:units value="milimole / gDW / hour"/>
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359 <brsynth:error value="11.000567449695138"/>
360 <brsynth:units value="kilojoule / mole"/>
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362 <brsynth:thermo_dGm_prime>
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364 <brsynth:error value="11.000567449695138"/>
365 <brsynth:units value="kilojoule / mole"/>
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368 <brsynth:value value="-119.13360567395966"/>
369 <brsynth:error value="11.000567449695138"/>
370 <brsynth:units value="kilojoule / mole"/>
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372 <brsynth:thermo_dG>
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375 <brsynth:units value="kilojoule / mole"/>
376 </brsynth:thermo_dG>
377 </brsynth:brsynth>
378 </rdf:BRSynth>
379 </rdf:RDF>
380 </annotation>
381 <listOfReactants>
382 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
383 </listOfReactants>
384 <listOfProducts>
385 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
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450 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/>
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452 </reaction>
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523 <groups:member groups:idRef="CMPD_0000000001"/>
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580 <groups:member groups:idRef="MNXM24"/>
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584 </model>
585 </sbml>