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sulheimsulheim
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Correction of name and prediction of correlations (#2)
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Lines changed: 3026 additions & 3744 deletions

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‎Data/constructed_pathways/1000.json‎

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},
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"lower_bound":0.0,
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"upper_bound":1000.0,
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"gene_reaction_rule":"AAY42394.1 and AAY42393.1"
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"gene_reaction_rule":"AAY42393.1 and AAY42394.1"
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},
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{
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"id":"NRPS_2",
@@ -482,11 +482,11 @@
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],
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"genes":[
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{
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"id":"AAY42393.1",
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"id":"AAY42394.1",
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"name":""
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},
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{
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"id":"AAY42394.1",
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"id":"AAY42393.1",
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"name":""
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},
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{

‎Data/constructed_pathways/1025.json‎

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},
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"lower_bound":0.0,
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"upper_bound":1000.0,
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"gene_reaction_rule":"MXAN_3933 and MXAN_3935"
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"gene_reaction_rule":"MXAN_3935 and MXAN_3933"
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},
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{
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"id":"transAT-PKS_22",

‎Data/constructed_pathways/1034.json‎

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{
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"metabolites":[
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{
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"id":"coa_c",
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"name":"Coenzyme A",
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"id":"mxacp_c",
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"name":"methoxymalonate specific acyl carrier protein",
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"compartment":"c",
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"charge":-4,
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"formula":"C21H32N7O16P3S",
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"annotation":{
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"3dmet":"B04618",
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"bigg.metabolite":"coa",
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"biocyc":"CO-A",
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"cas":"85-61-0",
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"chebi":[
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"CHEBI:15346",
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"CHEBI:57287"
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],
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"kegg.compound":"C00010",
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"metanetx.chemical":"MNXM12",
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"obo.chebi":"CHEBI%3A15346",
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"origin":"iMK1208",
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"pubchem.substance":"3312",
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"sbo":"SBO:0000247"
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}
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"formula":"X"
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},
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{
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"id":"13dpg_c",
@@ -66,44 +49,40 @@
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}
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},
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{
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"id":"nadp_c",
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"name":"Nicotinamide adenine dinucleotide phosphate",
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"id":"nad_c",
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"name":"Nicotinamide adenine dinucleotide",
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"compartment":"c",
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"charge":-3,
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"formula":"C21H25N7O17P3",
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"charge":-1,
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"formula":"C21H26N7O14P2",
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"annotation":{
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"3dmet":"B01129",
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"bigg.metabolite":"nadp",
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"biocyc":"NADP",
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"bigg.metabolite":"nad",
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"biocyc":"NAD",
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"chebi":[
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"CHEBI:58349",
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"CHEBI:25523",
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"CHEBI:44409",
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"CHEBI:18009"
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"CHEBI:15846",
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"CHEBI:44215",
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"CHEBI:57540"
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],
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"kegg.compound":"C00006",
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"metanetx.chemical":"MNXM5",
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"obo.chebi":"CHEBI%3A18009",
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"kegg.compound":"C00003",
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"metanetx.chemical":"MNXM8",
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"origin":"iMK1208",
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"pubchem.substance":"3308",
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"sbo":"SBO:0000247"
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}
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},
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{
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"id":"nadph_c",
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"name":"Nicotinamide adenine dinucleotide phosphate - reduced",
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"id":"nadh_c",
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"name":"Nicotinamide adenine dinucleotide - reduced",
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"compartment":"c",
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"charge":-4,
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"formula":"C21H26N7O17P3",
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"charge":-2,
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"formula":"C21H27N7O14P2",
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"annotation":{
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"bigg.metabolite":"nadph",
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"biocyc":"NADPH",
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"bigg.metabolite":"nadh",
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"biocyc":"NADH",
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"chebi":[
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"CHEBI:57783",
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"CHEBI:16474"
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"CHEBI:16908",
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"CHEBI:57945"
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],
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"kegg.compound":"C00005",
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"metanetx.chemical":"MNXM6",
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"kegg.compound":"C00004",
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"metanetx.chemical":"MNXM10",
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"origin":"iMK1208",
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"sbo":"SBO:0000247"
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}
@@ -210,7 +189,7 @@
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},
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{
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"id":"mxmal_c",
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"name":"Methoxymalonyl-CoA",
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"name":"Methoxymalonyl-ACP",
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"compartment":"c",
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"formula":"C14H20N6O5S"
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},
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}
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},
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{
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"id":"coa_c",
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"name":"Coenzyme A",
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"compartment":"c",
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"charge":-4,
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"formula":"C21H32N7O16P3S",
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"annotation":{
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"3dmet":"B04618",
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"bigg.metabolite":"coa",
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"biocyc":"CO-A",
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"cas":"85-61-0",
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"chebi":[
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"CHEBI:15346",
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"CHEBI:57287"
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],
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"kegg.compound":"C00010",
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"metanetx.chemical":"MNXM12",
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"obo.chebi":"CHEBI%3A15346",
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"origin":"iMK1208",
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"pubchem.substance":"3312",
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"sbo":"SBO:0000247"
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}
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},
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{
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"id":"NRPS_0",
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"name":"NRPS",
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"compartment":"c",
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"formula":"X"
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},
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{
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"id":"nadph_c",
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"name":"Nicotinamide adenine dinucleotide phosphate - reduced",
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"compartment":"c",
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"charge":-4,
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"formula":"C21H26N7O17P3",
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"annotation":{
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"bigg.metabolite":"nadph",
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"biocyc":"NADPH",
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"chebi":[
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"CHEBI:57783",
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"CHEBI:16474"
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],
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"kegg.compound":"C00005",
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"metanetx.chemical":"MNXM6",
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"origin":"iMK1208",
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"sbo":"SBO:0000247"
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}
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},
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{
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"id":"nadp_c",
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"name":"Nicotinamide adenine dinucleotide phosphate",
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"compartment":"c",
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"charge":-3,
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"formula":"C21H25N7O17P3",
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"annotation":{
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"3dmet":"B01129",
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"bigg.metabolite":"nadp",
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"biocyc":"NADP",
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"chebi":[
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"CHEBI:58349",
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"CHEBI:25523",
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"CHEBI:44409",
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"CHEBI:18009"
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],
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"kegg.compound":"C00006",
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"metanetx.chemical":"MNXM5",
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"obo.chebi":"CHEBI%3A18009",
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"origin":"iMK1208",
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"pubchem.substance":"3308",
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"sbo":"SBO:0000247"
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}
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},
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{
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"id":"NRPS_7",
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"name":"NRPS",
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"compartment":"c",
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"reactions":[
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{
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"id":"mxmal_synthesis",
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"name":"synthesis of methoxymalonyl-coa",
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"name":"synthesis of methoxymalonyl-ACP",
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"metabolites":{
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"13dpg_c":-1.0,
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"ahcys_c":1.0,
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"amet_c":-1.0,
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"coa_c":-1.0,
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"fad_c":-1.0,
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"fadh2_c":1.0,
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"h_c":1.0,
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"mxacp_c":-1.0,
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"mxmal_c":1.0,
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"nadp_c":-1.0,
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"nadph_c":1.0,
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"nad_c":-1.0,
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"nadh_c":1.0,
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"pi_c":2.0
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},
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"lower_bound":0.0,

‎Data/constructed_pathways/1042.json‎

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},
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"lower_bound":0.0,
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"upper_bound":1000.0,
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"gene_reaction_rule":"ACY06273.1 and ACY06269.1"
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"gene_reaction_rule":"ACY06269.1 and ACY06273.1"
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},
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{
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"id":"NRPS_2",
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],
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"genes":[
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{
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"id":"ACY06273.1",
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"id":"ACY06269.1",
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"name":""
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},
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{
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"id":"ACY06269.1",
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"id":"ACY06273.1",
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"name":""
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},
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{

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