comparison test-data/butanol.xml @ 0:b86c4ac05aab draft

planemo upload for repository https://github.com/brsynth/straindesign commit 38e681e9ebc7bb75ea44f314b48761bf25403420
author tduigou
date Mon, 15 May 2023 14:05:41 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:b86c4ac05aab
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="meta_butanol" id="butanol" fbc:strict="true">
4 <listOfUnitDefinitions>
5 <unitDefinition id="mmol_per_gDW_per_hr">
6 <listOfUnits>
7 <unit kind="mole" exponent="1" scale="-3" multiplier="1"/>
8 <unit kind="gram" exponent="-1" scale="0" multiplier="1"/>
9 <unit kind="second" exponent="-1" scale="0" multiplier="3600"/>
10 </listOfUnits>
11 </unitDefinition>
12 </listOfUnitDefinitions>
13 <fbc:listOfObjectives fbc:activeObjective="obj">
14 <fbc:objective fbc:id="obj" fbc:type="maximize">
15 <fbc:listOfFluxObjectives>
16 <fbc:fluxObjective fbc:reaction="R_EX_1btol_e" fbc:coefficient="0.5"/>
17 </fbc:listOfFluxObjectives>
18 </fbc:objective>
19 </fbc:listOfObjectives>
20 <listOfCompartments>
21 <compartment id="c" name="cytosol" constant="true"/>
22 <compartment id="p" name="periplasm" constant="true"/>
23 <compartment id="e" name="extracellular space" constant="true"/>
24 </listOfCompartments>
25 <listOfSpecies>
26 <species metaid="meta_M_co2_e" sboTerm="SBO:0000247" id="M_co2_e" name="CO2 CO2" compartment="e" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="CO2">
27 <annotation>
28 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
29 <rdf:Description rdf:about="#meta_M_co2_e">
30 <bqbiol:is>
31 <rdf:Bag>
32 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/co2"/>
33 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:CARBON-DIOXIDE"/>
34 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:23011"/>
35 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:3283"/>
36 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:48829"/>
37 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:16526"/>
38 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13283"/>
39 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13285"/>
40 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13284"/>
41 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13282"/>
42 <rdf:li rdf:resource="https://identifiers.org/envipath/650babc9-9d68-4b73-9332-11972ca26f7b/compound/2ec3da94-5f50-4525-81b1-5607c5c7a3d3"/>
43 <rdf:li rdf:resource="https://identifiers.org/envipath/32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/05f60af4-0a3f-4ead-9a29-33bb0f123379"/>
44 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB01967"/>
45 <rdf:li rdf:resource="https://identifiers.org/inchi_key/CURLTUGMZLYLDI-UHFFFAOYSA-N"/>
46 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00011"/>
47 <rdf:li rdf:resource="https://identifiers.org/kegg.drug/D00004"/>
48 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM13"/>
49 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/29376"/>
50 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/5668565"/>
51 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/189480"/>
52 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1132345"/>
53 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/113528"/>
54 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1237009"/>
55 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/159751"/>
56 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/389536"/>
57 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/159942"/>
58 <rdf:li rdf:resource="https://identifiers.org/sabiork/1266"/>
59 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00011"/>
60 </rdf:Bag>
61 </bqbiol:is>
62 </rdf:Description>
63 </rdf:RDF>
64 </annotation>
65 </species>
66 <species metaid="meta_M_glc__D_e" sboTerm="SBO:0000247" id="M_glc__D_e" name="D-Glucose" compartment="e" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C6H12O6">
67 <annotation>
68 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
69 <rdf:Description rdf:about="#meta_M_glc__D_e">
70 <bqbiol:is>
71 <rdf:Bag>
72 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/glc__D"/>
73 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:Glucopyranose"/>
74 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:12965"/>
75 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:20999"/>
76 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:4167"/>
77 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:17634"/>
78 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB00122"/>
79 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB06564"/>
80 <rdf:li rdf:resource="https://identifiers.org/inchi_key/WQZGKKKJIJFFOK-GASJEMHNSA-N"/>
81 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00031"/>
82 <rdf:li rdf:resource="https://identifiers.org/kegg.drug/D00009"/>
83 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM41"/>
84 <rdf:li rdf:resource="https://identifiers.org/sabiork/1406"/>
85 <rdf:li rdf:resource="https://identifiers.org/sabiork/1407"/>
86 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd26821"/>
87 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00027"/>
88 </rdf:Bag>
89 </bqbiol:is>
90 </rdf:Description>
91 </rdf:RDF>
92 </annotation>
93 </species>
94 <species metaid="meta_M_b2coa_c" sboTerm="SBO:0000247" id="M_b2coa_c" name="Crotonoyl-CoA" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="-4" fbc:chemicalFormula="C25H36N7O17P3S">
95 <annotation>
96 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
97 <rdf:Description rdf:about="#meta_M_b2coa_c">
98 <bqbiol:is>
99 <rdf:Bag>
100 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/b2coa"/>
101 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:CROTONYL-COA"/>
102 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:3928"/>
103 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:11531"/>
104 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:15473"/>
105 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:36926"/>
106 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:57332"/>
107 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:23408"/>
108 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:14031"/>
109 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:14032"/>
110 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13921"/>
111 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:41612"/>
112 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:58669"/>
113 <rdf:li rdf:resource="https://identifiers.org/envipath/32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c0e5f008-6d8b-4b94-a265-03d19ff197f4"/>
114 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB62466"/>
115 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB02009"/>
116 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB59627"/>
117 <rdf:li rdf:resource="https://identifiers.org/inchi_key/KFWWCMJSYSSPSK-PAXLJYGASA-J"/>
118 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00877"/>
119 <rdf:li rdf:resource="https://identifiers.org/lipidmaps/LMFA07050307"/>
120 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM214"/>
121 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/71045"/>
122 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/77313"/>
123 <rdf:li rdf:resource="https://identifiers.org/sabiork/2174"/>
124 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00650"/>
125 </rdf:Bag>
126 </bqbiol:is>
127 </rdf:Description>
128 </rdf:RDF>
129 </annotation>
130 </species>
131 <species metaid="meta_M_btcoa_c" sboTerm="SBO:0000247" id="M_btcoa_c" name="Gamma-butyrobetainyl-CoA" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="-3" fbc:chemicalFormula="C28H46N8O17P3S">
132 <annotation>
133 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
134 <rdf:Description rdf:about="#meta_M_btcoa_c">
135 <bqbiol:is>
136 <rdf:Bag>
137 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/btcoa"/>
138 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:GAMMA-BUTYROBETAINYL-COA"/>
139 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:61513"/>
140 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:61517"/>
141 <rdf:li rdf:resource="https://identifiers.org/inchi_key/QAMRRBGWSPTAEJ-SVHODSNWSA-K"/>
142 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C20749"/>
143 <rdf:li rdf:resource="https://identifiers.org/lipidmaps/LMFA07050321"/>
144 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM5762"/>
145 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd15412"/>
146 </rdf:Bag>
147 </bqbiol:is>
148 </rdf:Description>
149 </rdf:RDF>
150 </annotation>
151 </species>
152 <species metaid="meta_M_btal_c" sboTerm="SBO:0000247" id="M_btal_c" name="Butanal C4H8O" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C4H8O">
153 <annotation>
154 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
155 <rdf:Description rdf:about="#meta_M_btal_c">
156 <bqbiol:is>
157 <rdf:Bag>
158 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/btal"/>
159 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:BUTANAL"/>
160 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:22938"/>
161 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:3233"/>
162 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:15743"/>
163 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13923"/>
164 <rdf:li rdf:resource="https://identifiers.org/envipath/650babc9-9d68-4b73-9332-11972ca26f7b/compound/242f8a4e-2a91-4c5f-a129-d044d115b969"/>
165 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB03543"/>
166 <rdf:li rdf:resource="https://identifiers.org/inchi_key/ZTQSAGDEMFDKMZ-UHFFFAOYSA-N"/>
167 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C01412"/>
168 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM1017"/>
169 <rdf:li rdf:resource="https://identifiers.org/sabiork/2281"/>
170 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd01011"/>
171 </rdf:Bag>
172 </bqbiol:is>
173 </rdf:Description>
174 </rdf:RDF>
175 </annotation>
176 </species>
177 <species metaid="meta_M_nad_c" sboTerm="SBO:0000247" id="M_nad_c" name="Deamino-NAD+" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="-2" fbc:chemicalFormula="C21H24N6O15P2">
178 <annotation>
179 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
180 <rdf:Description rdf:about="#meta_M_nad_c">
181 <bqbiol:is>
182 <rdf:Bag>
183 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/nad"/>
184 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:DEAMIDO-NAD"/>
185 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:14104"/>
186 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:58437"/>
187 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:14103"/>
188 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:4340"/>
189 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:14105"/>
190 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:18304"/>
191 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:23567"/>
192 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB01179"/>
193 <rdf:li rdf:resource="https://identifiers.org/inchi_key/SENPVEZBRZQVST-HISDBWNOSA-L"/>
194 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00857"/>
195 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM309"/>
196 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/8938090"/>
197 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/200499"/>
198 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/197256"/>
199 <rdf:li rdf:resource="https://identifiers.org/sabiork/1349"/>
200 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00638"/>
201 </rdf:Bag>
202 </bqbiol:is>
203 </rdf:Description>
204 </rdf:RDF>
205 </annotation>
206 </species>
207 <species metaid="meta_M_nadh_c" sboTerm="SBO:0000247" id="M_nadh_c" name="Nicotinamide adenine dinucleotide - reduced" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="-2" fbc:chemicalFormula="C21H27N7O14P2">
208 <annotation>
209 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
210 <rdf:Description rdf:about="#meta_M_nadh_c">
211 <bqbiol:is>
212 <rdf:Bag>
213 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/nadh"/>
214 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:NADH"/>
215 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13395"/>
216 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:21902"/>
217 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:7423"/>
218 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:44216"/>
219 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:57945"/>
220 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:16908"/>
221 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13396"/>
222 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB01487"/>
223 <rdf:li rdf:resource="https://identifiers.org/inchi_key/BOPGDPNILDQYTO-NNYOXOHSSA-L"/>
224 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00004"/>
225 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM10"/>
226 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/192305"/>
227 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/73473"/>
228 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/29362"/>
229 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/194697"/>
230 <rdf:li rdf:resource="https://identifiers.org/sabiork/38"/>
231 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00004"/>
232 </rdf:Bag>
233 </bqbiol:is>
234 </rdf:Description>
235 </rdf:RDF>
236 </annotation>
237 </species>
238 <species metaid="meta_M_h_c" sboTerm="SBO:0000247" id="M_h_c" name="H+" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="1" fbc:chemicalFormula="H">
239 <annotation>
240 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
241 <rdf:Description rdf:about="#meta_M_h_c">
242 <bqbiol:is>
243 <rdf:Bag>
244 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/h"/>
245 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:PROTON"/>
246 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:5584"/>
247 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13357"/>
248 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:15378"/>
249 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:10744"/>
250 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB59597"/>
251 <rdf:li rdf:resource="https://identifiers.org/inchi_key/GPRLSGONYQIRFK-UHFFFAOYSA-N"/>
252 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00080"/>
253 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM1"/>
254 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2000349"/>
255 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425978"/>
256 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/74722"/>
257 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428040"/>
258 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/427899"/>
259 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428548"/>
260 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/156540"/>
261 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/70106"/>
262 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425969"/>
263 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1132304"/>
264 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/5668577"/>
265 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1470067"/>
266 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/163953"/>
267 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/193465"/>
268 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/113529"/>
269 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/351626"/>
270 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425999"/>
271 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/194688"/>
272 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/374900"/>
273 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2872447"/>
274 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/372511"/>
275 <rdf:li rdf:resource="https://identifiers.org/sabiork/39"/>
276 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00067"/>
277 </rdf:Bag>
278 </bqbiol:is>
279 </rdf:Description>
280 </rdf:RDF>
281 </annotation>
282 </species>
283 <species metaid="meta_M_h_e" sboTerm="SBO:0000247" id="M_h_e" name="H+" compartment="e" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="1" fbc:chemicalFormula="H">
284 <annotation>
285 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
286 <rdf:Description rdf:about="#meta_M_h_e">
287 <bqbiol:is>
288 <rdf:Bag>
289 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/h"/>
290 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:PROTON"/>
291 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:5584"/>
292 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13357"/>
293 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:15378"/>
294 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:10744"/>
295 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB59597"/>
296 <rdf:li rdf:resource="https://identifiers.org/inchi_key/GPRLSGONYQIRFK-UHFFFAOYSA-N"/>
297 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00080"/>
298 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM1"/>
299 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2000349"/>
300 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425978"/>
301 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/74722"/>
302 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428040"/>
303 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/427899"/>
304 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428548"/>
305 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/156540"/>
306 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/70106"/>
307 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425969"/>
308 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1132304"/>
309 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/5668577"/>
310 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1470067"/>
311 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/163953"/>
312 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/193465"/>
313 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/113529"/>
314 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/351626"/>
315 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425999"/>
316 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/194688"/>
317 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/374900"/>
318 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2872447"/>
319 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/372511"/>
320 <rdf:li rdf:resource="https://identifiers.org/sabiork/39"/>
321 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00067"/>
322 </rdf:Bag>
323 </bqbiol:is>
324 </rdf:Description>
325 </rdf:RDF>
326 </annotation>
327 </species>
328 <species metaid="meta_M_h_p" sboTerm="SBO:0000247" id="M_h_p" name="H+" compartment="p" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="1" fbc:chemicalFormula="H">
329 <annotation>
330 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
331 <rdf:Description rdf:about="#meta_M_h_p">
332 <bqbiol:is>
333 <rdf:Bag>
334 <rdf:li rdf:resource="https://identifiers.org/bigg.metabolite/h"/>
335 <rdf:li rdf:resource="https://identifiers.org/biocyc/META:PROTON"/>
336 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:5584"/>
337 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:13357"/>
338 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:15378"/>
339 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:10744"/>
340 <rdf:li rdf:resource="https://identifiers.org/hmdb/HMDB59597"/>
341 <rdf:li rdf:resource="https://identifiers.org/inchi_key/GPRLSGONYQIRFK-UHFFFAOYSA-N"/>
342 <rdf:li rdf:resource="https://identifiers.org/kegg.compound/C00080"/>
343 <rdf:li rdf:resource="https://identifiers.org/metanetx.chemical/MNXM1"/>
344 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2000349"/>
345 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425978"/>
346 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/74722"/>
347 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428040"/>
348 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/427899"/>
349 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/428548"/>
350 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/156540"/>
351 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/70106"/>
352 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425969"/>
353 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1132304"/>
354 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/5668577"/>
355 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/1470067"/>
356 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/163953"/>
357 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/193465"/>
358 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/113529"/>
359 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/351626"/>
360 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/425999"/>
361 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/194688"/>
362 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/374900"/>
363 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/2872447"/>
364 <rdf:li rdf:resource="https://identifiers.org/reactome.compound/372511"/>
365 <rdf:li rdf:resource="https://identifiers.org/sabiork/39"/>
366 <rdf:li rdf:resource="https://identifiers.org/seed.compound/cpd00067"/>
367 </rdf:Bag>
368 </bqbiol:is>
369 </rdf:Description>
370 </rdf:RDF>
371 </annotation>
372 </species>
373 <species metaid="meta_M_1btol_c" id="M_1btol_c" name="butan1ol" compartment="c" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:chemicalFormula="C4H10O">
374 <annotation>
375 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
376 <rdf:Description rdf:about="#meta_M_1btol_c">
377 <bqbiol:is>
378 <rdf:Bag>
379 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:22936"/>
380 </rdf:Bag>
381 </bqbiol:is>
382 </rdf:Description>
383 </rdf:RDF>
384 </annotation>
385 </species>
386 <species metaid="meta_M_1btol_p" id="M_1btol_p" name="butan1ol" compartment="p" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:chemicalFormula="C4H10O">
387 <annotation>
388 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
389 <rdf:Description rdf:about="#meta_M_1btol_p">
390 <bqbiol:is>
391 <rdf:Bag>
392 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:22936"/>
393 </rdf:Bag>
394 </bqbiol:is>
395 </rdf:Description>
396 </rdf:RDF>
397 </annotation>
398 </species>
399 <species metaid="meta_M_1btol_e" id="M_1btol_e" name="butan1ol" compartment="e" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:chemicalFormula="C4H10O">
400 <annotation>
401 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
402 <rdf:Description rdf:about="#meta_M_1btol_e">
403 <bqbiol:is>
404 <rdf:Bag>
405 <rdf:li rdf:resource="https://identifiers.org/chebi/CHEBI:22936"/>
406 </rdf:Bag>
407 </bqbiol:is>
408 </rdf:Description>
409 </rdf:RDF>
410 </annotation>
411 </species>
412 </listOfSpecies>
413 <listOfParameters>
414 <parameter constant="true" id="cobra_default_lb" name="cobra default - lb" sboTerm="SBO:0000626" units="mmol_per_gDW_per_hr" value="-1000"/>
415 <parameter constant="true" id="cobra_default_ub" name="cobra default - ub" sboTerm="SBO:0000626" units="mmol_per_gDW_per_hr" value="1000"/>
416 <parameter constant="true" id="cobra_0_bound" name="cobra 0 - bound" sboTerm="SBO:0000625" units="mmol_per_gDW_per_hr" value="0"/>
417 </listOfParameters>
418 <listOfReactions>
419 <reaction metaid="meta_R_EX_1btol_e" sboTerm="SBO:0000627" id="R_EX_1btol_e" name="butan1ol exchange" reversible="true" fast="false" fbc:lowerFluxBound="cobra_default_lb" fbc:upperFluxBound="cobra_default_ub">
420 <listOfReactants>
421 <speciesReference species="M_1btol_e" stoichiometry="1" constant="true"/>
422 </listOfReactants>
423 </reaction>
424 <reaction id="R_ButCoaDeh" name="Butyryl-CoA dehydrogenase" reversible="false" fast="false" fbc:lowerFluxBound="cobra_0_bound" fbc:upperFluxBound="cobra_default_ub">
425 <listOfReactants>
426 <speciesReference species="M_b2coa_c" stoichiometry="1" constant="true"/>
427 <speciesReference species="M_nadh_c" stoichiometry="1" constant="true"/>
428 <speciesReference species="M_h_c" stoichiometry="1" constant="true"/>
429 </listOfReactants>
430 <listOfProducts>
431 <speciesReference species="M_btcoa_c" stoichiometry="1" constant="true"/>
432 <speciesReference species="M_nad_c" stoichiometry="1" constant="true"/>
433 </listOfProducts>
434 </reaction>
435 <reaction id="R_ButanalDeh" name="Butanal dehydrogenase" reversible="false" fast="false" fbc:lowerFluxBound="cobra_0_bound" fbc:upperFluxBound="cobra_default_ub">
436 <listOfReactants>
437 <speciesReference species="M_btcoa_c" stoichiometry="1" constant="true"/>
438 <speciesReference species="M_nadh_c" stoichiometry="1" constant="true"/>
439 <speciesReference species="M_h_c" stoichiometry="1" constant="true"/>
440 </listOfReactants>
441 <listOfProducts>
442 <speciesReference species="M_btal_c" stoichiometry="1" constant="true"/>
443 <speciesReference species="M_nad_c" stoichiometry="1" constant="true"/>
444 </listOfProducts>
445 </reaction>
446 <reaction id="R_ButanolDeh" name="Butanol dehydrogenase" reversible="false" fast="false" fbc:lowerFluxBound="cobra_0_bound" fbc:upperFluxBound="cobra_default_ub">
447 <listOfReactants>
448 <speciesReference species="M_btal_c" stoichiometry="1" constant="true"/>
449 <speciesReference species="M_nadh_c" stoichiometry="1" constant="true"/>
450 <speciesReference species="M_h_c" stoichiometry="1" constant="true"/>
451 </listOfReactants>
452 <listOfProducts>
453 <speciesReference species="M_1btol_c" stoichiometry="1" constant="true"/>
454 <speciesReference species="M_nad_c" stoichiometry="1" constant="true"/>
455 </listOfProducts>
456 </reaction>
457 <reaction id="R_ButOlTrP" name="1-Butanol transporter (periplasm)" reversible="false" fast="false" fbc:lowerFluxBound="cobra_0_bound" fbc:upperFluxBound="cobra_default_ub">
458 <listOfReactants>
459 <speciesReference species="M_1btol_c" stoichiometry="1" constant="true"/>
460 <speciesReference species="M_h_c" stoichiometry="1" constant="true"/>
461 </listOfReactants>
462 <listOfProducts>
463 <speciesReference species="M_1btol_p" stoichiometry="1" constant="true"/>
464 <speciesReference species="M_h_p" stoichiometry="1" constant="true"/>
465 </listOfProducts>
466 </reaction>
467 <reaction id="R_ButOlTrE" name="1-Butanol transporter (extracellular)" reversible="false" fast="false" fbc:lowerFluxBound="cobra_0_bound" fbc:upperFluxBound="cobra_default_ub">
468 <listOfReactants>
469 <speciesReference species="M_1btol_p" stoichiometry="1" constant="true"/>
470 </listOfReactants>
471 <listOfProducts>
472 <speciesReference species="M_1btol_e" stoichiometry="1" constant="true"/>
473 </listOfProducts>
474 </reaction>
475 </listOfReactions>
476 <groups:listOfGroups>
477 <groups:group metaid="meta_rp_pathway" groups:id="rp_pathway" groups:kind="collection">
478 <annotation>
479 <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/">
480 <rdf:BRSynth rdf:about="meta_rp_pathway">
481 <brsynth:brsynth xmlns:brsynth="http://brsynth.eu"/>
482 </rdf:BRSynth>
483 </rdf:RDF>
484 </annotation>
485 <groups:listOfMembers>
486 <groups:member groups:idRef="R_ButCoaDeh"/>
487 <groups:member groups:idRef="R_ButanalDeh"/>
488 <groups:member groups:idRef="R_ButanolDeh"/>
489 <groups:member groups:idRef="R_ButOlTrP"/>
490 <groups:member groups:idRef="R_ButOlTrE"/>
491 <groups:member groups:idRef="R_EX_1btol_e"/>
492 </groups:listOfMembers>
493 </groups:group>
494 </groups:listOfGroups>
495 </model>
496 </sbml>