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fix-met.annot: wrong CHEBI id #121

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merged 2 commits into from
Jun 9, 2018
Merged

fix-met.annot: wrong CHEBI id #121

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be4c32a
fix-met.annot: wrong CHEBI id
BenjaSanchez Jun 9, 2018
9b9f580
Merge branch 'devel' into fix/metCuration
BenjaSanchez Jun 9, 2018
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1 change: 0 additions & 1 deletion ComplementaryData/modelCuration/metabolite_manual_curation.tsv
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Expand Up @@ -205,7 +205,6 @@ CDP-diacylglycerol (1-16:0, 2-18:1) CDP-diacylglycerol (1-16:0, 2-18:1) CHEBI:34
CDP-diacylglycerol (1-16:1, 2-16:1) CDP-diacylglycerol (1-16:1, 2-16:1) CHEBI:104012 0 new chebiID
CDP-diacylglycerol (1-16:1, 2-18:1) CDP-diacylglycerol (1-16:1, 2-18:1) 0 Wrong charge in erm/mm.
CDP-diacylglycerol (1-18:0, 2-16:1) CDP-diacylglycerol (1-18:0, 2-16:1) 0 No chebi id found. ECMDB23374
CDP-diacylglycerol (1-18:0, 2-16:1) CDP-diacylglycerol (1-18:0, 2-16:1) ECMDB23374 0 Wrong CHEBI in erm/mm.
CDP-diacylglycerol (1-18:0, 2-18:1) CDP-diacylglycerol (1-18:0, 2-18:1) 0 Wrong charge in erm.
CDP-diacylglycerol (1-18:1, 2-16:1) CDP-diacylglycerol (1-18:1, 2-16:1) 0 Wrong charge in erm/mm.
CDP-diacylglycerol (1-18:1, 2-18:1) CDP-diacylglycerol (1-18:1, 2-18:1) CHEBI:104362 0 new chebiID. CHEBI:104362 for 1.2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate CDP-DG(18:1/18:1)
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4 changes: 2 additions & 2 deletions ModelFiles/dependencies.txt
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@@ -1,7 +1,7 @@
MATLAB 9.3.0.713579 (R2017b)
MATLAB 9.4.0.813654 (R2018a)
libSBML 5.17.0
RAVEN_toolbox 2.0.0
COBRA_toolbox commit 7f88d93
COBRA_toolbox commit 4bfe8b3
SBML_level 3
SBML_version 1
fbc_version 2
18 changes: 2 additions & 16 deletions ModelFiles/xml/yeastGEM.xml
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Expand Up @@ -21057,14 +21057,7 @@
</rdf:RDF>
</annotation>
</species>
<species metaid="s_3086__91__erm__93__" id="s_3086__91__erm__93__" name="CDP-diacylglycerol (1-18:0, 2-16:1) [endoplasmic reticulum membrane]" compartment="erm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H83N3O15P2">
<notes>
<body xmlns="http://www.w3.org/1999/xhtml">
<p>metChEBIID:ECMDB23374</p>
<p>metChEBIID:ECMDB23374</p>
</body>
</notes>
</species>
<species metaid="s_3086__91__erm__93__" id="s_3086__91__erm__93__" name="CDP-diacylglycerol (1-18:0, 2-16:1) [endoplasmic reticulum membrane]" compartment="erm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H83N3O15P2"/>
<species metaid="s_3087__91__erm__93__" id="s_3087__91__erm__93__" name="CDP-diacylglycerol (1-18:1, 2-16:1) [endoplasmic reticulum membrane]" compartment="erm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H81N3O15P2"/>
<species metaid="s_3088__91__erm__93__" id="s_3088__91__erm__93__" name="CDP-diacylglycerol (1-16:0, 2-18:1) [endoplasmic reticulum membrane]" compartment="erm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H83N3O15P2">
<annotation xmlns:sbml="http://www.sbml.org/sbml/level3/version1/core">
Expand Down Expand Up @@ -21190,14 +21183,7 @@
</rdf:RDF>
</annotation>
</species>
<species metaid="s_3100__91__mm__93__" id="s_3100__91__mm__93__" name="CDP-diacylglycerol (1-18:0, 2-16:1) [mitochondrial membrane]" compartment="mm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H83N3O15P2">
<notes>
<body xmlns="http://www.w3.org/1999/xhtml">
<p>metChEBIID:ECMDB23374</p>
<p>metChEBIID:ECMDB23374</p>
</body>
</notes>
</species>
<species metaid="s_3100__91__mm__93__" id="s_3100__91__mm__93__" name="CDP-diacylglycerol (1-18:0, 2-16:1) [mitochondrial membrane]" compartment="mm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C46H83N3O15P2"/>
<species metaid="s_3101__91__mm__93__" id="s_3101__91__mm__93__" name="phosphatidate (1-18:1, 2-16:1) [mitochondrial membrane]" compartment="mm" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false" fbc:charge="0" fbc:chemicalFormula="C37H69O8P">
<annotation xmlns:sbml="http://www.sbml.org/sbml/level3/version1/core">
<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/">
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4 changes: 0 additions & 4 deletions ModelFiles/yml/yeastGEM.yml
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Expand Up @@ -13686,8 +13686,6 @@
- compartment: erm
- formula: C46H83N3O15P2
- charge: 0
- annotation: !!omap
- chebi: ECMDB23374
- !!omap
- id: s_3087
- name: CDP-diacylglycerol (1-18:1, 2-16:1)
Expand Down Expand Up @@ -13794,8 +13792,6 @@
- compartment: mm
- formula: C46H83N3O15P2
- charge: 0
- annotation: !!omap
- chebi: ECMDB23374
- !!omap
- id: s_3101
- name: phosphatidate (1-18:1, 2-16:1)
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