annotate test-data/rp_002_0001.xml @ 0:e95370d2e5f9 draft

"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"

<?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="f9b1ff022aa2133fc1e5e5d1fbac90ac29a744e960a2774be646bc71471ed597" id="RP_model_002_0001" name="002_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>
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              <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="b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46" id="CMPD_0000000001" name="CMPD_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
        <annotation>
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                <brsynth:thermo_standard_dg_formation>
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              </brsynth:brsynth>
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        </annotation>
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        <annotation>
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                <brsynth:inchikey value="OINNEUNVOZHBOX-UHFFFAOYSA-N"/>
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                <brsynth:thermo_standard_dg_formation>
                  <brsynth:value value="-1495.8281099920857"/>
                  <brsynth:units value="kilojoule / mole"/>
                </brsynth:thermo_standard_dg_formation>
              </brsynth:brsynth>
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        </annotation>
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                <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"/>
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                <brsynth:thermo_standard_dg_formation>
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                  <brsynth:units value="kilojoule / mole"/>
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        </annotation>
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          <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
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                <brsynth:inchikey value="NUHSROFQTUXZQQ-UHFFFAOYSA-N"/>
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                  <brsynth:value value="None"/>
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                <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"/>
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        </annotation>
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        <annotation>
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                <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"/>
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                <brsynth:thermo_standard_dg_formation>
                  <brsynth:value value="-2256.1898491337233"/>
                  <brsynth:units value="kilojoule / mole"/>
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              </brsynth:brsynth>
            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
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                <brsynth:smiles/>
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                  <brsynth:value value="None"/>
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                <brsynth:fba_fraction_shadow_price>
                  <brsynth:value value="None"/>
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                <brsynth:thermo_standard_dg_formation>
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                  <brsynth:units value="kilojoule / mole"/>
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            </rdf:BRSynth>
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        </annotation>
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        <annotation>
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                <brsynth:inchikey value="GVVPGTZRZFNKDS-UHFFFAOYSA-N"/>
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                <brsynth:thermo_standard_dg_formation>
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                  <brsynth:units value="kilojoule / mole"/>
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        </annotation>
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                <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/>
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                <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"/>
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          </rdf:RDF>
        </annotation>
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    </listOfSpecies>
    <listOfParameters>
      <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_10000_0" value="10000" constant="true"/>
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    </listOfParameters>
    <listOfReactions>
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        <annotation>
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                <brsynth:rp2_transfo_id value="TRS_0_2_740"/>
                <brsynth:rule_ids>
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                <brsynth:tmpl_rxn_ids>
                  <brsynth:MNXR132231/>
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                <brsynth:rule_score value="0.5706379442030705"/>
                <brsynth:idx_in_path value="1"/>
                <brsynth:selenzy/>
                <brsynth:fba_biomass>
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                  <brsynth:units value="gDW / gDW / hour"/>
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                <brsynth:fba_fraction>
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                  <brsynth:units value="milimole / gDW / hour"/>
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                  <brsynth:error value="4.6679220722885155"/>
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                <brsynth:thermo_dGm_prime>
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                  <brsynth:error value="4.6679220722885155"/>
                  <brsynth:units value="kilojoule / mole"/>
                </brsynth:thermo_dGm_prime>
                <brsynth:thermo_dG_prime>
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                  <brsynth:error value="4.6679220722885155"/>
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                <brsynth:thermo_dG>
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                </brsynth:thermo_dG>
              </brsynth:brsynth>
            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
        <listOfReactants>
          <speciesReference species="MNXM100" stoichiometry="1" constant="true"/>
          <speciesReference species="MNXM83" stoichiometry="1" constant="true"/>
        </listOfReactants>
        <listOfProducts>
          <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/>
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                <brsynth:fba_fraction>
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                  <brsynth:units value="milimole / gDW / hour"/>
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                <brsynth:thermo_dG0_prime>
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                  <brsynth:error value="11.000567449695138"/>
                  <brsynth:units value="kilojoule / mole"/>
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                <brsynth:thermo_dGm_prime>
                  <brsynth:value value="-153.36328074340173"/>
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                <brsynth:thermo_dG_prime>
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                <brsynth:thermo_dG>
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                </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"/>
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        </annotation>
        <listOfReactants>
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        <listOfProducts>
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          <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/>
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    </groups:listOfGroups>
  </model>
</sbml>