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comparison test-data/lycopene.xml @ 0:f0a06f526c7f draft

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"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author tduigou
date Thu, 09 Dec 2021 14:21:48 +0000
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-1:000000000000 0:f0a06f526c7f
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="f9b1ff022aa2133fc1e5e5d1fbac90ac29a744e960a2774be646bc71471ed597" id="RP_model_002_0001" name="002_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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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>
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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"/>
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45 <brsynth:thermo_standard_dg_formation>
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92 <brsynth:smiles value="O=P(O)(O)OP(=O)(O)O"/>
93 <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/>
94 <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/>
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101 <brsynth:thermo_standard_dg_formation>
102 <brsynth:value value="-1966.8036657706114"/>
103 <brsynth:units value="kilojoule / mole"/>
104 </brsynth:thermo_standard_dg_formation>
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108 </annotation>
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121 <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)"/>
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177 <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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205 <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)"/>
206 <brsynth:inchikey value="NUHSROFQTUXZQQ-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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257 <annotation>
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263 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21684"/>
264 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.29"/>
265 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.82"/>
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272 <brsynth:rp2_transfo_id value="TRS_0_2_740"/>
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277 <brsynth:tmpl_rxn_ids>
278 <brsynth:MNXR132231/>
279 <brsynth:MNXR112683/>
280 </brsynth:tmpl_rxn_ids>
281 <brsynth:rule_score value="0.5706379442030705"/>
282 <brsynth:idx_in_path value="1"/>
283 <brsynth:selenzy_P21684>
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285 <brsynth:target_ID value="553"/>
286 </brsynth:selenzy_P21684>
287 <brsynth:selenzy_P21683>
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290 </brsynth:selenzy_P21683>
291 <brsynth:fba_biomass>
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293 <brsynth:units value="gDW / gDW / hour"/>
294 </brsynth:fba_biomass>
295 <brsynth:fba_fraction>
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297 <brsynth:units value="milimole / gDW / hour"/>
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299 <brsynth:thermo_dG0_prime>
300 <brsynth:value value="-1544.3333670420595"/>
301 <brsynth:error value="4.6679220722885155"/>
302 <brsynth:units value="kilojoule / mole"/>
303 </brsynth:thermo_dG0_prime>
304 <brsynth:thermo_dGm_prime>
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306 <brsynth:error value="4.6679220722885155"/>
307 <brsynth:units value="kilojoule / mole"/>
308 </brsynth:thermo_dGm_prime>
309 <brsynth:thermo_dG_prime>
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311 <brsynth:error value="4.6679220722885155"/>
312 <brsynth:units value="kilojoule / mole"/>
313 </brsynth:thermo_dG_prime>
314 <brsynth:thermo_dG>
315 <brsynth:value value="-1881.1378556154446"/>
316 <brsynth:error value="4.6679220722885155"/>
317 <brsynth:units value="kilojoule / mole"/>
318 </brsynth:thermo_dG>
319 </brsynth:brsynth>
320 </rdf:BRSynth>
321 </rdf:RDF>
322 </annotation>
323 <listOfReactants>
324 <speciesReference species="MNXM100" stoichiometry="1" constant="true"/>
325 <speciesReference species="MNXM83" stoichiometry="1" constant="true"/>
326 </listOfReactants>
327 <listOfProducts>
328 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
329 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/>
330 </listOfProducts>
331 </reaction>
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355 <brsynth:MNXR111499/>
356 <brsynth:MNXR113543/>
357 <brsynth:MNXR118024/>
358 <brsynth:MNXR139549/>
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380 <brsynth:error value="11.000567449695138"/>
381 <brsynth:units value="kilojoule / mole"/>
382 </brsynth:thermo_dG0_prime>
383 <brsynth:thermo_dGm_prime>
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385 <brsynth:error value="11.000567449695138"/>
386 <brsynth:units value="kilojoule / mole"/>
387 </brsynth:thermo_dGm_prime>
388 <brsynth:thermo_dG_prime>
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390 <brsynth:error value="11.000567449695138"/>
391 <brsynth:units value="kilojoule / mole"/>
392 </brsynth:thermo_dG_prime>
393 <brsynth:thermo_dG>
394 <brsynth:value value="-1501.0650763644926"/>
395 <brsynth:error value="11.000567449695138"/>
396 <brsynth:units value="kilojoule / mole"/>
397 </brsynth:thermo_dG>
398 </brsynth:brsynth>
399 </rdf:BRSynth>
400 </rdf:RDF>
401 </annotation>
402 <listOfReactants>
403 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
404 </listOfReactants>
405 <listOfProducts>
406 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
407 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/>
408 </listOfProducts>
409 </reaction>
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480 </brsynth:brsynth>
481 </rdf:BRSynth>
482 </rdf:RDF>
483 </annotation>
484 <listOfReactants>
485 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
486 <speciesReference species="MNXM8975" stoichiometry="4" constant="true"/>
487 </listOfReactants>
488 <listOfProducts>
489 <speciesReference species="MNXM24" stoichiometry="4" constant="true"/>
490 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/>
491 </listOfProducts>
492 </reaction>
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494 <groups:listOfGroups>
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526 <brsynth:units value="kilojoule / mole"/>
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528 <brsynth:global_score value="0.9892438888549804"/>
529 </brsynth:brsynth>
530 </rdf:BRSynth>
531 </rdf:RDF>
532 </annotation>
533 <groups:listOfMembers>
534 <groups:member groups:idRef="rxn_1"/>
535 <groups:member groups:idRef="rxn_2"/>
536 <groups:member groups:idRef="rxn_3"/>
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562 <groups:member groups:idRef="MNXM100"/>
563 <groups:member groups:idRef="TARGET_0000000001"/>
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578 <groups:member groups:idRef="MNXM24"/>
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592 <groups:member groups:idRef="MNXM100"/>
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618 <groups:member groups:idRef="MNXM24"/>
619 <groups:member groups:idRef="TARGET_0000000001"/>
620 <groups:member groups:idRef="MNXM8975"/>
621 </groups:listOfMembers>
622 </groups:group>
623 </groups:listOfGroups>
624 </model>
625 </sbml>