Mercurial > repos > tduigou > rptools_rpfba
comparison test-data/rp_013_0001.xml @ 2:082cd90e7254 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 12:10:05 +0000 |
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1:5d35eea4f75d | 2:082cd90e7254 |
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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="_2db93def850b5b412e9c6bfb2f3ae31a33b90fb03a3777278e0e69de0adbd9b8" id="RP_model_013_0001" name="013_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="_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002" id="TARGET_0000000001" name="TARGET_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
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38 <brsynth:inchikey value="TXXHDPDFNKHHGW-UHFFFAOYSA-N"/> | |
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99 <annotation> | |
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135 <annotation> | |
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153 <annotation> | |
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171 <annotation> | |
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181 <brsynth:inchi value="InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1"/> | |
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204 </annotation> | |
205 </species> | |
206 </listOfSpecies> | |
207 <listOfParameters> | |
208 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_10000" value="10000" units="mmol_per_gDW_per_hr" constant="true"/> | |
209 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC__10000" value="-10000" units="mmol_per_gDW_per_hr" constant="true"/> | |
210 </listOfParameters> | |
211 <listOfReactions> | |
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213 <annotation> | |
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225 <brsynth:rp2_transfo_id value="TRS_0_0_0"/> | |
226 <brsynth:rule_id value="RR-02-a0cc0be463ff412f-16-F"/> | |
227 <brsynth:tmpl_rxn_id value="MNXR96458"/> | |
228 <brsynth:rule_score value="0.5982208769718989"/> | |
229 <brsynth:idx_in_path value="3"/> | |
230 <brsynth:selenzy/> | |
231 </brsynth:brsynth> | |
232 </rdf:BRSynth> | |
233 </rdf:RDF> | |
234 </annotation> | |
235 <listOfReactants> | |
236 <speciesReference species="MNXM4" stoichiometry="1" constant="true"/> | |
237 <speciesReference species="MNXM6" stoichiometry="1" constant="true"/> | |
238 <speciesReference species="CMPD_0000000004" stoichiometry="3" constant="true"/> | |
239 </listOfReactants> | |
240 <listOfProducts> | |
241 <speciesReference species="MNXM13" stoichiometry="1" constant="true"/> | |
242 <speciesReference species="MNXM5" stoichiometry="1" constant="true"/> | |
243 </listOfProducts> | |
244 </reaction> | |
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246 <annotation> | |
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255 <rdf:BRSynth rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> | |
256 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
257 <brsynth:smiles value="[H]Oc1c([H])c([H])c([H])c([H])c1[H].[H+].O=O.[H]N=C(O[H])C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C3([H])OC([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)C([H])(OP(=O)(O[H])O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C([H])C1([H])[H]>>[H]Oc1c([H])c([H])c([H])c([H])c1O[H].[H]O[H].N=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1"/> | |
258 <brsynth:rp2_transfo_id value="TRS_0_1_3"/> | |
259 <brsynth:rule_id value="RR-02-217503934671e143-16-F"/> | |
260 <brsynth:tmpl_rxn_id value="MNXR106703"/> | |
261 <brsynth:rule_score value="0.5683242688496836"/> | |
262 <brsynth:idx_in_path value="2"/> | |
263 <brsynth:selenzy/> | |
264 </brsynth:brsynth> | |
265 </rdf:BRSynth> | |
266 </rdf:RDF> | |
267 </annotation> | |
268 <listOfReactants> | |
269 <speciesReference species="MNXM4" stoichiometry="1" constant="true"/> | |
270 <speciesReference species="CMPD_0000000003" stoichiometry="2" constant="true"/> | |
271 </listOfReactants> | |
272 <listOfProducts> | |
273 <speciesReference species="MNXM1" stoichiometry="1" constant="true"/> | |
274 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/> | |
275 </listOfProducts> | |
276 </reaction> | |
277 <reaction metaid="_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4" sboTerm="SBO:0000176" id="rxn_1" reversible="false" fast="false" fbc:lowerFluxBound="BRS_FBC__10000" fbc:upperFluxBound="BRS_FBC_10000"> | |
278 <annotation> | |
279 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
280 <rdf:Description rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> | |
281 <bqbiol:is> | |
282 <rdf:Bag> | |
283 <rdf:li rdf:resource="http://identifiers.org/ec-code/4.1.1.61"/> | |
284 </rdf:Bag> | |
285 </bqbiol:is> | |
286 </rdf:Description> | |
287 <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> | |
288 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
289 <brsynth:smiles value="[H+].[H]OC(=O)c1c([H])c([H])c(O[H])c([H])c1[H]>>[H]Oc1c([H])c([H])c([H])c([H])c1[H].O=C=O"/> | |
290 <brsynth:rp2_transfo_id value="TRS_0_2_60"/> | |
291 <brsynth:rule_id value="RR-02-d3b162f199b260fc-16-F"/> | |
292 <brsynth:tmpl_rxn_id value="MNXR106877"/> | |
293 <brsynth:rule_score value="0.7023718970192103"/> | |
294 <brsynth:idx_in_path value="1"/> | |
295 <brsynth:selenzy/> | |
296 </brsynth:brsynth> | |
297 </rdf:BRSynth> | |
298 </rdf:RDF> | |
299 </annotation> | |
300 <listOfReactants> | |
301 <speciesReference species="MNXM188" stoichiometry="1" constant="true"/> | |
302 <speciesReference species="MNXM4" stoichiometry="1" constant="true"/> | |
303 <speciesReference species="MNXM6" stoichiometry="1" constant="true"/> | |
304 <speciesReference species="MNXM1" stoichiometry="3" constant="true"/> | |
305 </listOfReactants> | |
306 <listOfProducts> | |
307 <speciesReference species="CMPD_0000000004" stoichiometry="1" constant="true"/> | |
308 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> | |
309 <speciesReference species="MNXM13" stoichiometry="1" constant="true"/> | |
310 <speciesReference species="MNXM15" stoichiometry="1" constant="true"/> | |
311 <speciesReference species="MNXM5" stoichiometry="1" constant="true"/> | |
312 </listOfProducts> | |
313 </reaction> | |
314 </listOfReactions> | |
315 <groups:listOfGroups> | |
316 <groups:group metaid="_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299" groups:id="rp_pathway" groups:kind="collection"> | |
317 <annotation> | |
318 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
319 <rdf:BRSynth rdf:about="#_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299"> | |
320 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
321 <brsynth:global_score value="-1"/> | |
322 </brsynth:brsynth> | |
323 </rdf:BRSynth> | |
324 </rdf:RDF> | |
325 </annotation> | |
326 <groups:listOfMembers> | |
327 <groups:member groups:idRef="rxn_1"/> | |
328 <groups:member groups:idRef="rxn_2"/> | |
329 <groups:member groups:idRef="rxn_3"/> | |
330 </groups:listOfMembers> | |
331 </groups:group> | |
332 <groups:group metaid="_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a" groups:id="rp_intermediate_species" groups:kind="collection"> | |
333 <annotation> | |
334 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
335 <rdf:BRSynth rdf:about="#_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a"> | |
336 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
337 </rdf:BRSynth> | |
338 </rdf:RDF> | |
339 </annotation> | |
340 <groups:listOfMembers> | |
341 <groups:member groups:idRef="CMPD_0000000004"/> | |
342 <groups:member groups:idRef="CMPD_0000000003"/> | |
343 </groups:listOfMembers> | |
344 </groups:group> | |
345 <groups:group metaid="_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579" groups:id="rp_trunk_species" groups:kind="collection"> | |
346 <annotation> | |
347 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
348 <rdf:BRSynth rdf:about="#_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579"> | |
349 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
350 </rdf:BRSynth> | |
351 </rdf:RDF> | |
352 </annotation> | |
353 <groups:listOfMembers> | |
354 <groups:member groups:idRef="TARGET_0000000001"/> | |
355 <groups:member groups:idRef="MNXM4"/> | |
356 <groups:member groups:idRef="MNXM164"/> | |
357 <groups:member groups:idRef="CMPD_0000000004"/> | |
358 <groups:member groups:idRef="CMPD_0000000003"/> | |
359 <groups:member groups:idRef="MNXM6"/> | |
360 </groups:listOfMembers> | |
361 </groups:group> | |
362 <groups:group metaid="_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378" groups:id="rp_completed_species" groups:kind="collection"> | |
363 <annotation> | |
364 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
365 <rdf:BRSynth rdf:about="#_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378"> | |
366 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
367 </rdf:BRSynth> | |
368 </rdf:RDF> | |
369 </annotation> | |
370 <groups:listOfMembers> | |
371 <groups:member groups:idRef="MNXM5"/> | |
372 <groups:member groups:idRef="MNXM13"/> | |
373 <groups:member groups:idRef="MNXM2"/> | |
374 <groups:member groups:idRef="MNXM1"/> | |
375 </groups:listOfMembers> | |
376 </groups:group> | |
377 <groups:group metaid="_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3" groups:id="rp_sink_species" groups:kind="collection"> | |
378 <annotation> | |
379 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
380 <rdf:BRSynth rdf:about="#_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3"> | |
381 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
382 </rdf:BRSynth> | |
383 </rdf:RDF> | |
384 </annotation> | |
385 <groups:listOfMembers> | |
386 <groups:member groups:idRef="MNXM2"/> | |
387 <groups:member groups:idRef="MNXM13"/> | |
388 <groups:member groups:idRef="MNXM4"/> | |
389 <groups:member groups:idRef="MNXM1"/> | |
390 <groups:member groups:idRef="MNXM164"/> | |
391 <groups:member groups:idRef="MNXM5"/> | |
392 <groups:member groups:idRef="MNXM6"/> | |
393 </groups:listOfMembers> | |
394 </groups:group> | |
395 </groups:listOfGroups> | |
396 </model> | |
397 </sbml> |