Mercurial > repos > tduigou > rptools_rpfba
comparison test-data/lycopene_CrtEBI_from_selenzy.xml @ 0:21349603013a draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rptools commit 3bc34bfc82850daa2229724c396dcd9454039273-dirty
author | tduigou |
---|---|
date | Wed, 16 Nov 2022 11:13:10 +0000 |
parents | |
children |
comparison
equal
deleted
inserted
replaced
-1:000000000000 | 0:21349603013a |
---|---|
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> | |
7 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
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="_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39" id="MNXM24" name="MNXM24" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
27 <annotation> | |
28 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
29 <rdf:Description rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39"> | |
30 <bqbiol:is> | |
31 <rdf:Bag/> | |
32 </bqbiol:is> | |
33 </rdf:Description> | |
34 <rdf:BRSynth rdf:about="#_61841f05183ff06dbe77a0e01f6d73d7a890997d823ac18d9fd56bac3d4bcc39"> | |
35 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
36 <brsynth:smiles/> | |
37 <brsynth:inchi/> | |
38 <brsynth:inchikey/> | |
39 </brsynth:brsynth> | |
40 </rdf:BRSynth> | |
41 </rdf:RDF> | |
42 </annotation> | |
43 </species> | |
44 <species metaid="b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46" id="CMPD_0000000001" name="CMPD_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
45 <annotation> | |
46 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
47 <rdf:Description rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46"> | |
48 <bqbiol:is> | |
49 <rdf:Bag/> | |
50 </bqbiol:is> | |
51 </rdf:Description> | |
52 <rdf:BRSynth rdf:about="#b0098569a07f786a6e9b2294639668cd4ee564dd642a38bdf429c4c6bb560b46"> | |
53 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
54 <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]"/> | |
55 <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"/> | |
56 <brsynth:inchikey value="YVLPJIGOMTXXLP-UHFFFAOYSA-N"/> | |
57 </brsynth:brsynth> | |
58 </rdf:BRSynth> | |
59 </rdf:RDF> | |
60 </annotation> | |
61 </species> | |
62 <species metaid="_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002" id="TARGET_0000000001" name="TARGET_0000000001" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
63 <annotation> | |
64 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
65 <rdf:Description rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002"> | |
66 <bqbiol:is> | |
67 <rdf:Bag/> | |
68 </bqbiol:is> | |
69 </rdf:Description> | |
70 <rdf:BRSynth rdf:about="#_6817bb5f7133f50744b232330f1f3009343f785b8f77602ce5f44cdd9458f002"> | |
71 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
72 <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]"/> | |
73 <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"/> | |
74 <brsynth:inchikey value="OAIJSZIZWZSQBC-UHFFFAOYSA-N"/> | |
75 </brsynth:brsynth> | |
76 </rdf:BRSynth> | |
77 </rdf:RDF> | |
78 </annotation> | |
79 </species> | |
80 <species metaid="_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858" id="CMPD_0000000003" name="CMPD_0000000003" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
81 <annotation> | |
82 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
83 <rdf:Description rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858"> | |
84 <bqbiol:is> | |
85 <rdf:Bag/> | |
86 </bqbiol:is> | |
87 </rdf:Description> | |
88 <rdf:BRSynth rdf:about="#_2c27bb432be6149f648dcec0e702fd9bdf6449fb9f730bd86eeb0b63b93d8858"> | |
89 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
90 <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]"/> | |
91 <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)"/> | |
92 <brsynth:inchikey value="OINNEUNVOZHBOX-UHFFFAOYSA-N"/> | |
93 </brsynth:brsynth> | |
94 </rdf:BRSynth> | |
95 </rdf:RDF> | |
96 </annotation> | |
97 </species> | |
98 <species metaid="_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36" id="MNXM100" name="MNXM100" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
99 <annotation> | |
100 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
101 <rdf:Description rdf:about="#_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36"> | |
102 <bqbiol:is> | |
103 <rdf:Bag/> | |
104 </bqbiol:is> | |
105 </rdf:Description> | |
106 <rdf:BRSynth rdf:about="#_3f5eb2f4341086942fd1241ec422493fc345830f18b33b0deb223866e06ace36"> | |
107 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
108 <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])[H]"/> | |
109 <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)"/> | |
110 <brsynth:inchikey value="GVVPGTZRZFNKDS-UHFFFAOYSA-N"/> | |
111 </brsynth:brsynth> | |
112 </rdf:BRSynth> | |
113 </rdf:RDF> | |
114 </annotation> | |
115 </species> | |
116 <species metaid="_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0" id="MNXM83" name="MNXM83" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
117 <annotation> | |
118 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
119 <rdf:Description rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0"> | |
120 <bqbiol:is> | |
121 <rdf:Bag/> | |
122 </bqbiol:is> | |
123 </rdf:Description> | |
124 <rdf:BRSynth rdf:about="#_47d72a86d31940edf1cc42c7a7361a7a96211dc2a6679326b8ad27a7e216ada0"> | |
125 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
126 <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]"/> | |
127 <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)"/> | |
128 <brsynth:inchikey value="NUHSROFQTUXZQQ-UHFFFAOYSA-N"/> | |
129 </brsynth:brsynth> | |
130 </rdf:BRSynth> | |
131 </rdf:RDF> | |
132 </annotation> | |
133 </species> | |
134 <species metaid="_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4" id="MNXM8975" name="MNXM8975" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
135 <annotation> | |
136 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
137 <rdf:Description rdf:about="#_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4"> | |
138 <bqbiol:is> | |
139 <rdf:Bag/> | |
140 </bqbiol:is> | |
141 </rdf:Description> | |
142 <rdf:BRSynth rdf:about="#_2f4b2d21d00b43a266620e821de533b08c3e42ff09ca008f915ca4400eb7d8c4"> | |
143 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
144 <brsynth:smiles/> | |
145 <brsynth:inchi/> | |
146 <brsynth:inchikey/> | |
147 </brsynth:brsynth> | |
148 </rdf:BRSynth> | |
149 </rdf:RDF> | |
150 </annotation> | |
151 </species> | |
152 <species metaid="a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1" id="MNXM11" name="MNXM11" compartment="c" initialConcentration="1" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> | |
153 <annotation> | |
154 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
155 <rdf:Description rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1"> | |
156 <bqbiol:is> | |
157 <rdf:Bag/> | |
158 </bqbiol:is> | |
159 </rdf:Description> | |
160 <rdf:BRSynth rdf:about="#a6e267be12defb7184259624f5adc519108c6c6adfe6be13f64b649567cb6df1"> | |
161 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
162 <brsynth:smiles value="O=P(O)(O)OP(=O)(O)O"/> | |
163 <brsynth:inchi value="InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"/> | |
164 <brsynth:inchikey value="XPPKVPWEQAFLFU-UHFFFAOYSA-N"/> | |
165 </brsynth:brsynth> | |
166 </rdf:BRSynth> | |
167 </rdf:RDF> | |
168 </annotation> | |
169 </species> | |
170 </listOfSpecies> | |
171 <listOfParameters> | |
172 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_10000_0" value="10000" constant="true"/> | |
173 <parameter metaid="dc937b59892604f5a86ac96936cd7ff09e25f18ae6b758e8014a24c7fa039e91" sboTerm="SBO:0000625" id="BRS_FBC_0_0" value="0" constant="true"/> | |
174 </listOfParameters> | |
175 <listOfReactions> | |
176 <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"> | |
177 <annotation> | |
178 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
179 <rdf:Description rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> | |
180 <bqbiol:is> | |
181 <rdf:Bag> | |
182 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21683"/> | |
183 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21684"/> | |
184 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.29"/> | |
185 </rdf:Bag> | |
186 </bqbiol:is> | |
187 </rdf:Description> | |
188 <rdf:BRSynth rdf:about="#_7af1776cbbaecbf874d7f576d21891f6ad79e3b7c2e726cfd2ee9f5bd6f483c4"> | |
189 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
190 <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])[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.O=P(O)(O)OP(=O)(O)O"/> | |
191 <brsynth:rp2_transfo_id value="TRS_0_2_364"/> | |
192 <brsynth:rule_ids> | |
193 <brsynth:RR-02-e5028622877ce1e1-16-F/> | |
194 </brsynth:rule_ids> | |
195 <brsynth:tmpl_rxn_ids> | |
196 <brsynth:MNXR132231/> | |
197 </brsynth:tmpl_rxn_ids> | |
198 <brsynth:rule_score value="0.5869134225065102"/> | |
199 <brsynth:idx_in_path value="1"/> | |
200 <brsynth:selenzy_P21684> | |
201 <brsynth:score value="91.109"/> | |
202 <brsynth:target_ID value="553"/> | |
203 </brsynth:selenzy_P21684> | |
204 <brsynth:selenzy_P21683> | |
205 <brsynth:score value="47.678"/> | |
206 <brsynth:target_ID value="553"/> | |
207 </brsynth:selenzy_P21683> | |
208 <brsynth:fba_biomass> | |
209 <brsynth:value value="0.0"/> | |
210 <brsynth:units value="gDW / gDW / hour"/> | |
211 </brsynth:fba_biomass> | |
212 <brsynth:fba_fraction> | |
213 <brsynth:value value="0.5493228602383673"/> | |
214 <brsynth:units value="milimole / gDW / hour"/> | |
215 </brsynth:fba_fraction> | |
216 <brsynth:thermo_dG0_prime> | |
217 <brsynth:value value="-1544.3333670420595"/> | |
218 <brsynth:error value="4.667922072288516"/> | |
219 <brsynth:units value="kilojoule / mole"/> | |
220 </brsynth:thermo_dG0_prime> | |
221 <brsynth:thermo_dGm_prime> | |
222 <brsynth:value value="-1561.4482045767807"/> | |
223 <brsynth:error value="4.667922072288516"/> | |
224 <brsynth:units value="kilojoule / mole"/> | |
225 </brsynth:thermo_dGm_prime> | |
226 <brsynth:thermo_dG_prime> | |
227 <brsynth:value value="-1544.3333670420595"/> | |
228 <brsynth:error value="4.667922072288516"/> | |
229 <brsynth:units value="kilojoule / mole"/> | |
230 </brsynth:thermo_dG_prime> | |
231 <brsynth:thermo_dG> | |
232 <brsynth:value value="-1881.1378556154446"/> | |
233 <brsynth:error value="4.667922072288516"/> | |
234 <brsynth:units value="kilojoule / mole"/> | |
235 </brsynth:thermo_dG> | |
236 </brsynth:brsynth> | |
237 </rdf:BRSynth> | |
238 </rdf:RDF> | |
239 </annotation> | |
240 <listOfReactants> | |
241 <speciesReference species="MNXM100" stoichiometry="1" constant="true"/> | |
242 <speciesReference species="MNXM83" stoichiometry="1" constant="true"/> | |
243 </listOfReactants> | |
244 <listOfProducts> | |
245 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> | |
246 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/> | |
247 </listOfProducts> | |
248 </reaction> | |
249 <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"> | |
250 <annotation> | |
251 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
252 <rdf:Description rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> | |
253 <bqbiol:is> | |
254 <rdf:Bag> | |
255 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21684"/> | |
256 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21683"/> | |
257 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.96"/> | |
258 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.99"/> | |
259 <rdf:li rdf:resource="http://identifiers.org/ec-code/2.5.1.32"/> | |
260 </rdf:Bag> | |
261 </bqbiol:is> | |
262 </rdf:Description> | |
263 <rdf:BRSynth rdf:about="#c9c2d56fd0ad9d5b8cd80acad4b5df22945ab4de50db7b24db52a91a7560c3ff"> | |
264 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
265 <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"/> | |
266 <brsynth:rp2_transfo_id value="TRS_0_1_9"/> | |
267 <brsynth:rule_ids> | |
268 <brsynth:RR-02-b25156a335e3e30f-16-F/> | |
269 </brsynth:rule_ids> | |
270 <brsynth:tmpl_rxn_ids> | |
271 <brsynth:MNXR111250/> | |
272 <brsynth:MNXR111499/> | |
273 <brsynth:MNXR113543/> | |
274 <brsynth:MNXR118024/> | |
275 <brsynth:MNXR139549/> | |
276 </brsynth:tmpl_rxn_ids> | |
277 <brsynth:rule_score value="0.5683242688496836"/> | |
278 <brsynth:idx_in_path value="2"/> | |
279 <brsynth:selenzy_P21683> | |
280 <brsynth:score value="91.9"/> | |
281 <brsynth:target_ID value="553"/> | |
282 </brsynth:selenzy_P21683> | |
283 <brsynth:selenzy_P21684> | |
284 <brsynth:score value="74.885"/> | |
285 <brsynth:target_ID value="553"/> | |
286 </brsynth:selenzy_P21684> | |
287 <brsynth:fba_biomass> | |
288 <brsynth:value value="0.0"/> | |
289 <brsynth:units value="gDW / gDW / hour"/> | |
290 </brsynth:fba_biomass> | |
291 <brsynth:fba_fraction> | |
292 <brsynth:value value="0.5493228602383673"/> | |
293 <brsynth:units value="milimole / gDW / hour"/> | |
294 </brsynth:fba_fraction> | |
295 <brsynth:thermo_dG0_prime> | |
296 <brsynth:value value="-119.13360567395966"/> | |
297 <brsynth:error value="11.000567449695142"/> | |
298 <brsynth:units value="kilojoule / mole"/> | |
299 </brsynth:thermo_dG0_prime> | |
300 <brsynth:thermo_dGm_prime> | |
301 <brsynth:value value="-153.36328074340173"/> | |
302 <brsynth:error value="11.000567449695142"/> | |
303 <brsynth:units value="kilojoule / mole"/> | |
304 </brsynth:thermo_dGm_prime> | |
305 <brsynth:thermo_dG_prime> | |
306 <brsynth:value value="-119.13360567395966"/> | |
307 <brsynth:error value="11.000567449695142"/> | |
308 <brsynth:units value="kilojoule / mole"/> | |
309 </brsynth:thermo_dG_prime> | |
310 <brsynth:thermo_dG> | |
311 <brsynth:value value="-1501.0650763644926"/> | |
312 <brsynth:error value="11.000567449695142"/> | |
313 <brsynth:units value="kilojoule / mole"/> | |
314 </brsynth:thermo_dG> | |
315 </brsynth:brsynth> | |
316 </rdf:BRSynth> | |
317 </rdf:RDF> | |
318 </annotation> | |
319 <listOfReactants> | |
320 <speciesReference species="CMPD_0000000003" stoichiometry="1" constant="true"/> | |
321 </listOfReactants> | |
322 <listOfProducts> | |
323 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> | |
324 <speciesReference species="MNXM11" stoichiometry="2" constant="true"/> | |
325 </listOfProducts> | |
326 </reaction> | |
327 <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"> | |
328 <annotation> | |
329 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
330 <rdf:Description rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> | |
331 <bqbiol:is> | |
332 <rdf:Bag> | |
333 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21683"/> | |
334 <rdf:li rdf:resource="http://identifiers.org/uniprot/P21685"/> | |
335 <rdf:li rdf:resource="http://identifiers.org/ec-code/1.3.99.31"/> | |
336 </rdf:Bag> | |
337 </bqbiol:is> | |
338 </rdf:Description> | |
339 <rdf:BRSynth rdf:about="#_376841fa42ba139764a5509b9d817e2e540d0e228582c970025c73ae1ee77c0d"> | |
340 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
341 <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]"/> | |
342 <brsynth:rp2_transfo_id value="TRS_0_0_1"/> | |
343 <brsynth:rule_ids> | |
344 <brsynth:RR-02-bdf7d8715e2e4d93-16-F/> | |
345 </brsynth:rule_ids> | |
346 <brsynth:tmpl_rxn_ids> | |
347 <brsynth:MNXR113128/> | |
348 </brsynth:tmpl_rxn_ids> | |
349 <brsynth:rule_score value="0.7486085128675456"/> | |
350 <brsynth:idx_in_path value="3"/> | |
351 <brsynth:selenzy_P21685> | |
352 <brsynth:score value="81.82"/> | |
353 <brsynth:target_ID value="553"/> | |
354 </brsynth:selenzy_P21685> | |
355 <brsynth:selenzy_P21683> | |
356 <brsynth:score value="63.183"/> | |
357 <brsynth:target_ID value="553"/> | |
358 </brsynth:selenzy_P21683> | |
359 <brsynth:fba_biomass> | |
360 <brsynth:value value="0.0"/> | |
361 <brsynth:units value="gDW / gDW / hour"/> | |
362 </brsynth:fba_biomass> | |
363 <brsynth:fba_fraction> | |
364 <brsynth:value value="0.5493228602383673"/> | |
365 <brsynth:units value="milimole / gDW / hour"/> | |
366 </brsynth:fba_fraction> | |
367 <brsynth:thermo_dG0_prime> | |
368 <brsynth:value value="1191.8613577748536"/> | |
369 <brsynth:error value="44.93683979991009"/> | |
370 <brsynth:units value="kilojoule / mole"/> | |
371 </brsynth:thermo_dG0_prime> | |
372 <brsynth:thermo_dGm_prime> | |
373 <brsynth:value value="1191.8613577748536"/> | |
374 <brsynth:error value="44.93683979991009"/> | |
375 <brsynth:units value="kilojoule / mole"/> | |
376 </brsynth:thermo_dGm_prime> | |
377 <brsynth:thermo_dG_prime> | |
378 <brsynth:value value="1191.8613577748536"/> | |
379 <brsynth:error value="44.93683979991009"/> | |
380 <brsynth:units value="kilojoule / mole"/> | |
381 </brsynth:thermo_dG_prime> | |
382 <brsynth:thermo_dG> | |
383 <brsynth:value value="329.6284950676197"/> | |
384 <brsynth:error value="44.93683979991009"/> | |
385 <brsynth:units value="kilojoule / mole"/> | |
386 </brsynth:thermo_dG> | |
387 </brsynth:brsynth> | |
388 </rdf:BRSynth> | |
389 </rdf:RDF> | |
390 </annotation> | |
391 <listOfReactants> | |
392 <speciesReference species="CMPD_0000000001" stoichiometry="1" constant="true"/> | |
393 <speciesReference species="MNXM8975" stoichiometry="4" constant="true"/> | |
394 </listOfReactants> | |
395 <listOfProducts> | |
396 <speciesReference species="MNXM24" stoichiometry="4" constant="true"/> | |
397 <speciesReference species="TARGET_0000000001" stoichiometry="1" constant="true"/> | |
398 </listOfProducts> | |
399 </reaction> | |
400 </listOfReactions> | |
401 <groups:listOfGroups> | |
402 <groups:group metaid="_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299" groups:id="rp_pathway" groups:kind="collection"> | |
403 <annotation> | |
404 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
405 <rdf:BRSynth rdf:about="#_93eef40c447d295fa61df9270c5fd909ec2ba7ee9883090552c0466873cd4299"> | |
406 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"> | |
407 <brsynth:fba_biomass> | |
408 <brsynth:value value="0.7638744755010175"/> | |
409 <brsynth:units value="gDW / gDW / hour"/> | |
410 </brsynth:fba_biomass> | |
411 <brsynth:fba_fraction> | |
412 <brsynth:value value="0.5493228602383673"/> | |
413 <brsynth:units value="milimole / gDW / hour"/> | |
414 </brsynth:fba_fraction> | |
415 <brsynth:thermo_dG0_prime> | |
416 <brsynth:value value="-471.6056149411652"/> | |
417 <brsynth:error value="47.748437579463356"/> | |
418 <brsynth:units value="kilojoule / mole"/> | |
419 </brsynth:thermo_dG0_prime> | |
420 <brsynth:thermo_dGm_prime> | |
421 <brsynth:value value="-522.9501275453283"/> | |
422 <brsynth:error value="47.748437579463356"/> | |
423 <brsynth:units value="kilojoule / mole"/> | |
424 </brsynth:thermo_dGm_prime> | |
425 <brsynth:thermo_dG_prime> | |
426 <brsynth:value value="-471.6056149411652"/> | |
427 <brsynth:error value="47.748437579463356"/> | |
428 <brsynth:units value="kilojoule / mole"/> | |
429 </brsynth:thermo_dG_prime> | |
430 <brsynth:thermo_dG> | |
431 <brsynth:value value="-3052.5744369123167"/> | |
432 <brsynth:error value="47.748437579463356"/> | |
433 <brsynth:units value="kilojoule / mole"/> | |
434 </brsynth:thermo_dG> | |
435 <brsynth:global_score value="0.9892438888549804"/> | |
436 </brsynth:brsynth> | |
437 </rdf:BRSynth> | |
438 </rdf:RDF> | |
439 </annotation> | |
440 <groups:listOfMembers> | |
441 <groups:member groups:idRef="rxn_1"/> | |
442 <groups:member groups:idRef="rxn_2"/> | |
443 <groups:member groups:idRef="rxn_3"/> | |
444 </groups:listOfMembers> | |
445 </groups:group> | |
446 <groups:group metaid="_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a" groups:id="rp_intermediate_species" groups:kind="collection"> | |
447 <annotation> | |
448 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
449 <rdf:BRSynth rdf:about="#_613b064337553014ede418c67180137a4561ff11b13f3bfa1a2765ef37ac375a"> | |
450 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
451 </rdf:BRSynth> | |
452 </rdf:RDF> | |
453 </annotation> | |
454 <groups:listOfMembers> | |
455 <groups:member groups:idRef="CMPD_0000000001"/> | |
456 <groups:member groups:idRef="CMPD_0000000003"/> | |
457 </groups:listOfMembers> | |
458 </groups:group> | |
459 <groups:group metaid="_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579" groups:id="rp_trunk_species" groups:kind="collection"> | |
460 <annotation> | |
461 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
462 <rdf:BRSynth rdf:about="#_564fce39b23c6cf87d12dc2c612448384fd2cd980fe3fc07829e2ef802645579"> | |
463 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
464 </rdf:BRSynth> | |
465 </rdf:RDF> | |
466 </annotation> | |
467 <groups:listOfMembers> | |
468 <groups:member groups:idRef="CMPD_0000000001"/> | |
469 <groups:member groups:idRef="TARGET_0000000001"/> | |
470 <groups:member groups:idRef="CMPD_0000000003"/> | |
471 <groups:member groups:idRef="MNXM100"/> | |
472 <groups:member groups:idRef="MNXM83"/> | |
473 </groups:listOfMembers> | |
474 </groups:group> | |
475 <groups:group metaid="_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378" groups:id="rp_completed_species" groups:kind="collection"> | |
476 <annotation> | |
477 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
478 <rdf:BRSynth rdf:about="#_9e3154173c97366b3980dd1642e1e35d0bdfc3274abc744e89ecb518bcd48378"> | |
479 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
480 </rdf:BRSynth> | |
481 </rdf:RDF> | |
482 </annotation> | |
483 <groups:listOfMembers> | |
484 <groups:member groups:idRef="MNXM24"/> | |
485 <groups:member groups:idRef="MNXM11"/> | |
486 <groups:member groups:idRef="MNXM8975"/> | |
487 </groups:listOfMembers> | |
488 </groups:group> | |
489 <groups:group metaid="_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3" groups:id="rp_sink_species" groups:kind="collection"> | |
490 <annotation> | |
491 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
492 <rdf:BRSynth rdf:about="#_58b3b59284e0d918d6d3f3bcadc2d757726da7594cd899cad4e745836ac967a3"> | |
493 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
494 </rdf:BRSynth> | |
495 </rdf:RDF> | |
496 </annotation> | |
497 <groups:listOfMembers> | |
498 <groups:member groups:idRef="MNXM100"/> | |
499 <groups:member groups:idRef="MNXM83"/> | |
500 <groups:member groups:idRef="MNXM11"/> | |
501 </groups:listOfMembers> | |
502 </groups:group> | |
503 <groups:group metaid="a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189" groups:id="rp_fba_ignored_species" groups:kind="collection"> | |
504 <annotation> | |
505 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
506 <rdf:BRSynth rdf:about="#a0f48a6fe4f833a3d15abd7ee5b944b97d629570ac09588e9fb6fdf6196ab189"> | |
507 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
508 </rdf:BRSynth> | |
509 </rdf:RDF> | |
510 </annotation> | |
511 <groups:listOfMembers> | |
512 <groups:member groups:idRef="MNXM24"/> | |
513 <groups:member groups:idRef="MNXM8975"/> | |
514 </groups:listOfMembers> | |
515 </groups:group> | |
516 <groups:group metaid="fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8" groups:id="rp_thermo_substituted_species" groups:kind="collection"> | |
517 <annotation> | |
518 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/"> | |
519 <rdf:BRSynth rdf:about="#fb9b29ba20af773fed953f1d6726905a453f235c9a4baa7217f02760bc2057f8"> | |
520 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/> | |
521 </rdf:BRSynth> | |
522 </rdf:RDF> | |
523 </annotation> | |
524 <groups:listOfMembers> | |
525 <groups:member groups:idRef="TARGET_0000000001"/> | |
526 <groups:member groups:idRef="MNXM24"/> | |
527 <groups:member groups:idRef="MNXM8975"/> | |
528 </groups:listOfMembers> | |
529 </groups:group> | |
530 </groups:listOfGroups> | |
531 </model> | |
532 </sbml> |