From ef44666ba35c09a016d25515857e951d1860fb0e Mon Sep 17 00:00:00 2001 From: Devlin-Moyer Date: Mon, 23 Oct 2023 18:51:32 -0400 Subject: [PATCH 1/2] feat: added MAM20019c to represent cytosolic FMNH2 --- model/Human-GEM.yml | 8 ++++++++ model/metabolites.tsv | 1 + 2 files changed, 9 insertions(+) diff --git a/model/Human-GEM.yml b/model/Human-GEM.yml index 6c7c5541..a43481da 100644 --- a/model/Human-GEM.yml +++ b/model/Human-GEM.yml @@ -66657,6 +66657,14 @@ - charge: 0 - inchis: "" - metFrom: "" + - !!omap + - id: "MAM20019c" + - name: "FMNH2" + - compartment: "c" + - formula: "C17H21N4O9P" + - charge: -2 + - inchis: "" + - metFrom: "" - !!omap - id: "MAM20019r" - name: "FMNH2" diff --git a/model/metabolites.tsv b/model/metabolites.tsv index a87f5787..a82aa727 100644 --- a/model/metabolites.tsv +++ b/model/metabolites.tsv @@ -8335,6 +8335,7 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa "MAM20021i" "MAM20021" "" "" "" "CHEBI:132024" "" "" "" "" "" "MNXM163133" "" "" "MAM02040i" "MAM02040" "" "" "" "CHEBI:15377" "" "" "" "" "" "WATER" "" "" "MAM02630i" "MAM02630" "" "" "" "CHEBI:15379" "" "" "" "" "" "MNXM735438" "" "" +"MAM20019c" "MAM20019" "C01847" "" "" "CHEBI:57618" "" "" "" "" "" "MNXM1107623" "" "" "MAM20019i" "MAM20019" "C01847" "" "" "CHEBI:57618" "" "" "" "" "" "MNXM1107623" "" "MAM20022i" "MAM01828i" "MAM01828" "C00061" "" "" "CHEBI:58210" "" "" "" "" "" "MNXM1105928" "" "MAM20023i" "MAM02457i" "MAM02457" "" "" "" "CHEBI:78043" "" "" "" "" "" "MNXM735122" "" "" From 5491db3423b2963d8b555ccb97f8b842427c25fa Mon Sep 17 00:00:00 2001 From: Devlin-Moyer Date: Mon, 23 Oct 2023 19:02:06 -0400 Subject: [PATCH 2/2] fix: replaced ubiquinone metabolites with FMN metabolites in MAR04575 and added new FMN/ubiquinone redox reaction MAR20167 --- model/Human-GEM.yml | 22 ++++++++++++++++++++-- model/reactions.tsv | 1 + 2 files changed, 21 insertions(+), 2 deletions(-) diff --git a/model/Human-GEM.yml b/model/Human-GEM.yml index a43481da..1a313d79 100644 --- a/model/Human-GEM.yml +++ b/model/Human-GEM.yml @@ -74296,9 +74296,9 @@ - name: "(S)-dihydroorotate:NAD+ oxidoreductase" - metabolites: !!omap - MAM00180c: -1 + - MAM01828c: -1 - MAM02659c: 1 - - MAM03102m: 1 - - MAM03103m: -1 + - MAM20019c: 1 - lower_bound: -1000 - upper_bound: 1000 - gene_reaction_rule: "ENSG00000102967" @@ -305329,6 +305329,24 @@ - subsystem: - "Transport reactions" - confidence_score: 0 + - !!omap + - id: "MAR20167" + - name: "MAR20167" + - metabolites: !!omap + - MAM01828c: 1 + - MAM03102m: 1 + - MAM03103m: -1 + - MAM20019c: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "ENSG00000102967" + - rxnNotes: "" + - rxnFrom: "" + - eccodes: "" + - references: "PMID:34428349" + - subsystem: + - "Miscellaneous" + - confidence_score: 0 - genes: - !!omap - id: "ENSG00000000419" diff --git a/model/reactions.tsv b/model/reactions.tsv index 5de1d8ae..01a33724 100644 --- a/model/reactions.tsv +++ b/model/reactions.tsv @@ -12997,3 +12997,4 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx "MAR20164" "" "" "" "" "" "" "" "" "" "" 0 "" "" "" "MAR20165" "" "" "" "" "" "" "" "" "" "" 0 "" "" "" "MAR20166" "" "" "" "" "" "" "" "" "" "" 0 "" "" "" +"MAR20167" "" "" "" "" "" "" "" "" "" "" 0 "" "" ""