Mercurial > repos > tduigou > rptools_rpscore
view test-data/rp_003_0001.xml @ 1:97937a568e4f draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 044274b46d50a1d0e3708e80e0dfecf1de653c65
author | tduigou |
---|---|
date | Thu, 02 Nov 2023 14:36:09 +0000 |
parents | 241da19c48a1 |
children |
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<?xml version="1.0" encoding="UTF-8"?> <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"> <model metaid="d4bfc4fec7c42e9de20c2ade1a21933a8c1ca015d4ca77b2b5f95790e798931c" id="RP_model_003_0001" name="003_0001" substanceUnits="mole" timeUnits="second" extentUnits="mole" fbc:strict="true"> <listOfCompartments> <compartment metaid="_2e7d2c03a9507ae265ecf5b5356885a53393a2029d241394997265a1a25aefc6" sboTerm="SBO:0000290" id="c" name="cytosol" size="1" constant="true"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_2e7d2c03a9507ae265ecf5b5356885a53393a2029d241394997265a1a25aefc6"> <bqbiol:is> <rdf:Bag> <rdf:li rdf:resource="http://identifiers.org/bigg.compartment/c"/> <rdf:li rdf:resource="http://identifiers.org/bigg.compartment/c_c"/> <rdf:li rdf:resource="http://identifiers.org/metanetx.compartment/MNXC3"/> <rdf:li rdf:resource="http://identifiers.org/seed/c"/> <rdf:li rdf:resource="http://identifiers.org/seed/c0"/> <rdf:li rdf:resource="http://identifiers.org/seed/cytosol"/> <rdf:li rdf:resource="http://identifiers.org/name/cytosol"/> </rdf:Bag> </bqbiol:is> </rdf:Description> </rdf:RDF> </annotation> </compartment> </listOfCompartments> <listOfSpecies> <species metaid="a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1" id="MNXM11" name="MNXM11" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <brsynth:smiles value="O=P(O)(O)OP(=O)(O)O"/> <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/> <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="None"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="None"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-1966.8036657706114"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002" id="TARGET_0000000001" name="TARGET_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]"/> <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"/> <brsynth:inchikey value="OAIJSZIZWZSQBC-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="-0.46174576679639245"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="-1.0"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="1245.5794452419402"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858" id="CMPD_0000000003" name="CMPD_0000000003" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]"/> <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)"/> <brsynth:inchikey value="OINNEUNVOZHBOX-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="-0.4636266049503492"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="-0.9959432048681541"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-1495.8281099920857"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0" id="MNXM83" name="MNXM83" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]"/> <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)"/> <brsynth:inchikey value="NUHSROFQTUXZQQ-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="None"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="None"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-1828.3274439664424"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_10a025d408ecc91b5894e1d66d8a31d96e4ac530a63de61f99720be74086a29f" id="MNXM34" name="MNXM34" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_10a025d408ecc91b5894e1d66d8a31d96e4ac530a63de61f99720be74086a29f"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_10a025d408ecc91b5894e1d66d8a31d96e4ac530a63de61f99720be74086a29f"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]"/> <brsynth:inchi value="InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)"/> <brsynth:inchikey value="VWFJDQUYCIWHTN-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="None"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="None"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-1607.8991259717538"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4" id="MNXM8975" name="MNXM8975" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <brsynth:smiles/> <brsynth:inchi/> <brsynth:inchikey/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="None"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="None"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-2261.3806478863044"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46" id="CMPD_0000000001" name="CMPD_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]"/> <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"/> <brsynth:inchikey value="YVLPJIGOMTXXLP-UHFFFAOYSA-N"/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="-0.46174576679639245"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="-1.0"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="936.7141451846444"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> <species metaid="_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39" id="MNXM24" name="MNXM24" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39"> <bqbiol:is> <rdf:Bag/> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <brsynth:smiles/> <brsynth:inchi/> <brsynth:inchikey/> <brsynth:fba_biomass_shadow_price> <brsynth:value value="None"/> </brsynth:fba_biomass_shadow_price> <brsynth:fba_fraction_shadow_price> <brsynth:value value="None"/> </brsynth:fba_fraction_shadow_price> <brsynth:thermo_standard_dg_formation> <brsynth:value value="-2256.1898491337233"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_standard_dg_formation> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> </species> </listOfSpecies> <listOfParameters> <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_10000_0" value="10000" constant="true"/> <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_0_0" value="0" constant="true"/> </listOfParameters> <listOfReactions> <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"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> <bqbiol:is> <rdf:Bag> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.10"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.68"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.29"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.-"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.88"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.81"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.31"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.84"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.85"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.92"/> </rdf:Bag> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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"/> <brsynth:rp2_transfo_id value="TRS_0_2_742"/> <brsynth:rule_ids> <brsynth:RR-02-07adee9ac9c42c7d-14-F/> <brsynth:RR-02-1494429c7e6e0694-14-F/> <brsynth:RR-02-1d50852f3f343682-14-F/> <brsynth:RR-02-3bf131230c6b2bf2-14-F/> <brsynth:RR-02-58d0f0d25e47b74a-14-F/> <brsynth:RR-02-b3db29f084fc7a81-14-F/> <brsynth:RR-02-f9759fe03c57b29f-14-F/> </brsynth:rule_ids> <brsynth:tmpl_rxn_ids> <brsynth:MNXR100137/> <brsynth:MNXR112247/> <brsynth:MNXR116653/> <brsynth:MNXR100621/> <brsynth:MNXR99634/> <brsynth:MNXR112069/> <brsynth:MNXR99650/> <brsynth:MNXR109677/> <brsynth:MNXR113141/> <brsynth:MNXR105052/> <brsynth:MNXR109713/> <brsynth:MNXR110950/> <brsynth:MNXR110952/> <brsynth:MNXR112246/> <brsynth:MNXR112250/> <brsynth:MNXR112251/> <brsynth:MNXR112252/> <brsynth:MNXR116656/> <brsynth:MNXR117266/> <brsynth:MNXR139515/> <brsynth:MNXR139637/> <brsynth:MNXR112249/> <brsynth:MNXR116655/> <brsynth:MNXR103150/> <brsynth:MNXR112248/> <brsynth:MNXR116654/> </brsynth:tmpl_rxn_ids> <brsynth:rule_score value="0.7358363677022237"/> <brsynth:idx_in_path value="1"/> <brsynth:selenzy/> <brsynth:fba_biomass> <brsynth:value value="0.0"/> <brsynth:units value="gDW / gDW / hour"/> </brsynth:fba_biomass> <brsynth:fba_fraction> <brsynth:value value="0.4741875610167627"/> <brsynth:units value="milimole / gDW / hour"/> </brsynth:fba_fraction> <brsynth:thermo_dG0_prime> <brsynth:value value="-71.55654770059041"/> <brsynth:error value="2.9407032504945367"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG0_prime> <brsynth:thermo_dGm_prime> <brsynth:value value="-71.55654770059041"/> <brsynth:error value="2.9407032504945367"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dGm_prime> <brsynth:thermo_dG_prime> <brsynth:value value="-71.55654770059041"/> <brsynth:error value="2.9407032504945367"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG_prime> <brsynth:thermo_dG> <brsynth:value value="-26.40520582450108"/> <brsynth:error value="2.9407032504945367"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> <listOfReactants> <speciesReference species="MNXM34" stoichiometry="1" constant="true"/> <speciesReference species="MNXM83" stoichiometry="1" constant="true"/> </listOfReactants> <listOfProducts> <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> <speciesReference species="MNXM11" stoichiometry="1" constant="true"/> </listOfProducts> </reaction> <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"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> <bqbiol:is> <rdf:Bag> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.96"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.99"/> <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.32"/> </rdf:Bag> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]>>[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"/> <brsynth:rp2_transfo_id value="TRS_0_1_9"/> <brsynth:rule_ids> <brsynth:RR-02-bedda4e2f5001e0c-14-F/> </brsynth:rule_ids> <brsynth:tmpl_rxn_ids> <brsynth:MNXR111250/> <brsynth:MNXR111499/> <brsynth:MNXR113543/> <brsynth:MNXR118024/> <brsynth:MNXR139549/> </brsynth:tmpl_rxn_ids> <brsynth:rule_score value="0.5518755963407151"/> <brsynth:idx_in_path value="2"/> <brsynth:selenzy/> <brsynth:fba_biomass> <brsynth:value value="0.0"/> <brsynth:units value="gDW / gDW / hour"/> </brsynth:fba_biomass> <brsynth:fba_fraction> <brsynth:value value="0.4741875610167627"/> <brsynth:units value="milimole / gDW / hour"/> </brsynth:fba_fraction> <brsynth:thermo_dG0_prime> <brsynth:value value="-119.13360567395966"/> <brsynth:error value="11.000567449695138"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG0_prime> <brsynth:thermo_dGm_prime> <brsynth:value value="-153.36328074340173"/> <brsynth:error value="11.000567449695138"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dGm_prime> <brsynth:thermo_dG_prime> <brsynth:value value="-119.13360567395966"/> <brsynth:error value="11.000567449695138"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG_prime> <brsynth:thermo_dG> <brsynth:value value="-1501.0650763644926"/> <brsynth:error value="11.000567449695138"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> <listOfReactants> <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> </listOfReactants> <listOfProducts> <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> <speciesReference species="MNXM11" stoichiometry="2" constant="true"/> </listOfProducts> </reaction> <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"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:Description rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> <bqbiol:is> <rdf:Bag> <rdf:li rdf:resource="http://identifiers.org/ec-code/1.3.99.31"/> </rdf:Bag> </bqbiol:is> </rdf:Description> <rdf:BRSynth rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <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]>>[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]"/> <brsynth:rp2_transfo_id value="TRS_0_0_1"/> <brsynth:rule_ids> <brsynth:RR-02-ae41ec5771136ea5-14-F/> </brsynth:rule_ids> <brsynth:tmpl_rxn_ids> <brsynth:MNXR113128/> </brsynth:tmpl_rxn_ids> <brsynth:rule_score value="0.7358363677022237"/> <brsynth:idx_in_path value="3"/> <brsynth:selenzy/> <brsynth:fba_biomass> <brsynth:value value="0.0"/> <brsynth:units value="gDW / gDW / hour"/> </brsynth:fba_biomass> <brsynth:fba_fraction> <brsynth:value value="0.4741875610167627"/> <brsynth:units value="milimole / gDW / hour"/> </brsynth:fba_fraction> <brsynth:thermo_dG0_prime> <brsynth:value value="1191.8613577748536"/> <brsynth:error value="44.93683979991009"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG0_prime> <brsynth:thermo_dGm_prime> <brsynth:value value="1191.8613577748536"/> <brsynth:error value="44.93683979991009"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dGm_prime> <brsynth:thermo_dG_prime> <brsynth:value value="1191.8613577748536"/> <brsynth:error value="44.93683979991009"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG_prime> <brsynth:thermo_dG> <brsynth:value value="329.6284950676197"/> <brsynth:error value="44.93683979991009"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> <listOfReactants> <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> <speciesReference species="MNXM8975" stoichiometry="4" constant="true"/> </listOfReactants> <listOfProducts> <speciesReference species="MNXM24" stoichiometry="4" constant="true"/> <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/> </listOfProducts> </reaction> </listOfReactions> <groups:listOfGroups> <groups:group metaid="_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299" groups:id="rp_pathway" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> <brsynth:fba_biomass> <brsynth:value value="0.8769972144269784"/> <brsynth:units value="gDW / gDW / hour"/> </brsynth:fba_biomass> <brsynth:fba_fraction> <brsynth:value value="0.4741875610167627"/> <brsynth:units value="milimole / gDW / hour"/> </brsynth:fba_fraction> <brsynth:thermo_dG0_prime> <brsynth:value value="1001.1712044003059"/> <brsynth:error value="46.96681347490446"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG0_prime> <brsynth:thermo_dGm_prime> <brsynth:value value="966.9415293308639"/> <brsynth:error value="46.96681347490446"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dGm_prime> <brsynth:thermo_dG_prime> <brsynth:value value="1001.1712044003059"/> <brsynth:error value="46.96681347490446"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG_prime> <brsynth:thermo_dG> <brsynth:value value="-1197.8417871213726"/> <brsynth:error value="46.96681347490446"/> <brsynth:units value="kilojoule / mole"/> </brsynth:thermo_dG> <brsynth:global_score value="0.975385755300522"/> </brsynth:brsynth> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="rxn_1"/> <groups:member groups:idRef="rxn_2"/> <groups:member groups:idRef="rxn_3"/> </groups:listOfMembers> </groups:group> <groups:group metaid="_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a" groups:id="rp_intermediate_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="CMPD_0000000001"/> <groups:member groups:idRef="CMPD_0000000003"/> </groups:listOfMembers> </groups:group> <groups:group metaid="_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579" groups:id="rp_trunk_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="TARGET_0000000001"/> <groups:member groups:idRef="CMPD_0000000003"/> <groups:member groups:idRef="MNXM83"/> <groups:member groups:idRef="MNXM34"/> <groups:member groups:idRef="CMPD_0000000001"/> </groups:listOfMembers> </groups:group> <groups:group metaid="_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378" groups:id="rp_completed_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="MNXM24"/> <groups:member groups:idRef="MNXM11"/> <groups:member groups:idRef="MNXM8975"/> </groups:listOfMembers> </groups:group> <groups:group metaid="_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3" groups:id="rp_sink_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="MNXM11"/> <groups:member groups:idRef="MNXM83"/> <groups:member groups:idRef="MNXM34"/> </groups:listOfMembers> </groups:group> <groups:group metaid="a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189" groups:id="rp_fba_ignored_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="MNXM24"/> <groups:member groups:idRef="MNXM8975"/> </groups:listOfMembers> </groups:group> <groups:group metaid="fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8" groups:id="rp_thermo_substituted_species" groups:kind="collection"> <annotation> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> <rdf:BRSynth rdf:about="#fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8"> <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> </rdf:BRSynth> </rdf:RDF> </annotation> <groups:listOfMembers> <groups:member groups:idRef="MNXM24"/> <groups:member groups:idRef="TARGET_0000000001"/> <groups:member groups:idRef="MNXM8975"/> </groups:listOfMembers> </groups:group> </groups:listOfGroups> </model> </sbml>