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Update tmao.py
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JustKong13 authored Jun 29, 2021
1 parent a492e7c commit 216df40
Showing 1 changed file with 85 additions and 1 deletion.
86 changes: 85 additions & 1 deletion added_reactions/tmao.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,90 @@
}
)

model.add_reactions([rxn_12990])
# EC Number 1.14.13.239 https://biocyc.org/META/NEW-IMAGE?type=REACTION&object=RXN-5921

crn = model.metabolites.get_by_id("crn_c")
nadph = model.metabolites.get_by_id("nadph_c")
o2 = model.metabolites.get_by_id("o2_c")
h = model.metabolites.get_by_id("h_c")
msal__L = Metabolite(
"msal__L_c",
formula="C4H5O4",
name="L-malic semialdehyde",
compartment="c"
)
tma = model.metabolites.get_by_id("tma_c")
nadp = model.metabolites.get_by_id("nadp_c")
h2o = model.metabolites.get_by_id("h2o_c")

rxn_5921 = Reaction("rxn_5921")
rxn_5921.name = "RXN-5921"
rxn_5921.add_metabolites(
{
crn: -1.0,
nadph: -1.0,
o2: -1.0,
h: -1.0,
msal__L: 1.0,
tma: 1.0,
nadp: 1.0,
h2o: 1.0
}
)

# EC Number 1.14.13.239 https://biocyc.org/META/NEW-IMAGE?type=REACTION&object=RXN-18258

gbbtn = model.metabolites.get_by_id("gbbtn_c")
nadph = model.metabolites.get_by_id("nadph_c")
o2 = model.metabolites.get_by_id("o2_c")
h = model.metabolites.get_by_id("h_c")
sucsal = model.metabolites.get_by_id("sucsal_c")
tma = model.metabolites.get_by_id("tma_c")
nadp = model.metabolites.get_by_id("nadp_c")
h2o = model.metabolites.get_by_id("h2o_c")

rxn_18258 = Reaction("RXN-18258")
rxn_18258.name = "RXN-18258"
rxn_18258.add_metabolites(
{
gbbtn: -1.0,
nadph: -1.0,
o2: -1.0,
h: -1.0,
sucsal: 1.0,
tma: 1.0,
nadp: 1.0,
h2o: 1.0
}
)

# EC Number 1.14.13.239 https://biocyc.org/META/NEW-IMAGE?type=REACTION&object=RXN-18376

chol = model.metabolites.get_by_id("chol_c")
nadph = model.metabolites.get_by_id("nadph_c")
o2 = model.metabolites.get_by_id("o2_c")
h = model.metabolites.get_by_id("h_c")
gcald = model.metabolites.get_by_id("gcald_c")
tma = model.metabolites.get_by_id("tma_c")
nadp = model.metabolites.get_by_id("nadp_c")
h2o = model.metabolites.get_by_id("h2o_c")

rxn_18376 = Reaction("RXN-18376")
rxn_18376.name = "RXN-18376"
rxn_18376.add_metabolites(
{
chol: -1.0,
nadph: -1.0,
o2: -1.0,
h: -1.0,
gcald: 1.0,
tma: 1.0,
nadp: 1.0,
h2o: 1.0
}
)


model.add_reactions([rxn_12990, rxn_5921, rxn_18258, rxn_18376])
cobra.io.save_json_model(model, "./models/iML1515_tmao.json")
model.optimize().objective_value

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