annotate test-data/lycopene.xml @ 3:1770376208c7 draft default tip

planemo upload for repository https://github.com/neilswainston/SbmlToSbol commit 1e01b679611d980f87089184e7d8a538b96d68c7

<?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>
          <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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              <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>
          <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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              <bqbiol:is>
                <rdf:Bag/>
              </bqbiol:is>
            </rdf:Description>
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              <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"/>
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                </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>
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        <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">
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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>
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                  <brsynth:units value="kilojoule / mole"/>
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        </annotation>
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        <annotation>
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              <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"/>
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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"/>
                </brsynth:thermo_standard_dg_formation>
              </brsynth:brsynth>
            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
      </species>
      <species metaid="_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36" id="MNXM100" name="MNXM100" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false">
        <annotation>
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              <bqbiol:is>
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                <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)"/>
                <brsynth:inchikey value="GVVPGTZRZFNKDS-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="-1719.970141951422"/>
                  <brsynth:units value="kilojoule / mole"/>
                </brsynth:thermo_standard_dg_formation>
              </brsynth:brsynth>
            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
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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:units value="kilojoule / mole"/>
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        </annotation>
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        <annotation>
          <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: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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                <brsynth:thermo_standard_dg_formation>
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                  <brsynth:units value="kilojoule / mole"/>
                </brsynth:thermo_standard_dg_formation>
              </brsynth:brsynth>
            </rdf:BRSynth>
          </rdf:RDF>
        </annotation>
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        <annotation>
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                <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"/>
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                  <brsynth:value value="None"/>
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          </rdf:RDF>
        </annotation>
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        <annotation>
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                  <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>
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            </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>
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        <annotation>
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                <brsynth:tmpl_rxn_ids>
                  <brsynth:MNXR132231/>
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                </brsynth:tmpl_rxn_ids>
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                </brsynth:fba_biomass>
                <brsynth:fba_fraction>
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                <brsynth:thermo_dGm_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="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: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"/>
          <speciesReference species="MNXM11" stoichiometry="2" constant="true"/>
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        </annotation>
        <listOfReactants>
          <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/>
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        <listOfProducts>
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          <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/>
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    <groups:listOfGroups>
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  </model>
</sbml>