Difference between revisions of "PWY-3861"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16819 CPD-16819] == * common-name: ** 4-methylphenyl sulfate * smiles: ** cc1(c=cc(=cc=1)os...")
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== sjapGEM description ==
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[[Category:metabolite]]
 
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16819 CPD-16819] ==
''Saccharina japonica'' is the most cultivated alga worldwide, with nearly 8 millions tons of dry weight harvested in 2014, representing more than US $1.3 billion value ([http://www.fao.org/fishery/culturedspecies/Laminaria_japonica/en#tcNA008C Chen J., FAO website, accessed on january 10th, 2019]).
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* common-name:
Its draft genome sequence was published in 2015 ([http://doi.org/10.1038/ncomms7986 Ye et al., Nature Communications]). The genome version used here underwent an additional round of cleaning for bacterial contaminants using Taxoblast ([https://doi.org/10.7717/peerj.4073 Dittami and Corre, 2017]). The paper describing this GEM reconstruction in more detail is in preparation. Manual curation is ongoing on the abscisic acid synthesis pathway (PWY-695).
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** 4-methylphenyl sulfate
 
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* smiles:
== Automatic reconstruction with [http://aureme.genouest.org AuReMe] ==
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** cc1(c=cc(=cc=1)os(=o)(=o)[o-])
Model summary: [[MEDIA:summary.txt|summary]]
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* inchi-key:
 
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** wgnakzgusrvwrh-uhfffaoysa-m
Download '''AuReMe''' Input/Output [LINK OR MEDIA data]
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* molecular-weight:
 
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** 187.19
The automatic reconstruction of ''Saccharina japonica'' results to a Genome scale [[MEDIA:model.xml|Model]] containing 3344 reactions, 3242 metabolites, 5022 genes and 1388 pathways. This GeM was obtained based on the following sources:
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== Reaction(s) known to consume the compound ==
* Based on annotation data:
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* [[RXN-15588]]
** Tool: [http://bioinformatics.ai.sri.com/ptools/ Pathway tools]
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== Reaction(s) known to produce the compound ==
*** Creation of a metabolic network containing 2568 reactions
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* [[RXN-15588]]
* Based on orthology data:
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== Reaction(s) of unknown directionality ==
** Tool: [http://pathtastic.gforge.inria.fr Pantograph]
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{{#set: common-name=4-methylphenyl sulfate}}
*** From template ''NANNOCHLOROPSIS_SALINA'' ([https://doi.org/10.1186/s12918-017-0441-1 Loira et al., 2017]) creation of a metabolic network containing: 1337 reactions
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{{#set: inchi-key=inchikey=wgnakzgusrvwrh-uhfffaoysa-m}}
*** From template ''ARABIDOPSIS_THALIANA'' ([https://doi.org/10.1104/pp.109.148817 De Oliveira dal'Molin et al., 2010]) creation of a metabolic network containing: 901 reactions
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{{#set: molecular-weight=187.19}}
*** From template ''[http://gem-aureme.irisa.fr/ectogem/ ECTOCARPUS_SILICULOSUS]'' creation of a metabolic network containing: 1498 reactions
 
* Based on expertise:
 
*** 17 reaction(s) added
 
* Based on gap-filling:
 
** Tool: [https://pypi.python.org/pypi/meneco meneco]
 
*** 91 reaction(s) added
 
 
 
== Collaborative curation ==  
 
* Suggest reactions to add or remove:
 
** Download this [[MEDIA:Add_delete_reaction.csv|form]]
 
* Suggest new reactions to create and add:
 
** Download this [[MEDIA:Reaction_creator.csv|form]]
 
* '''Follow the examples given in the form(s) to correctly share your suggestions'''
 
* Send the filled form(s) to: gabriel.markov@sb-roscoff.fr
 

Revision as of 14:18, 26 August 2019

Metabolite CPD-16819

  • common-name:
    • 4-methylphenyl sulfate
  • smiles:
    • cc1(c=cc(=cc=1)os(=o)(=o)[o-])
  • inchi-key:
    • wgnakzgusrvwrh-uhfffaoysa-m
  • molecular-weight:
    • 187.19

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality