Difference between revisions of "CPD-4702"

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(Created page with "== ESUBGEM description == ''Ectocarpus subulatus'' is a small filamentous brown alga that is able to live in freshwater. Its full genome was published in 2020 ([https://doi.o...")
(Created page with "Category:metabolite == Metabolite CPD-4702 == * common-name: ** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol * inchi-key: ** jhiwifrqjxlneu-gsqagghasa-m * molec...")
 
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== ESUBGEM description ==
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[[Category:metabolite]]
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== Metabolite CPD-4702 ==
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''Ectocarpus subulatus'' is a small filamentous brown alga that is able to live in freshwater. Its full genome was published in 2020 ([https://doi.org/10.1016/j.margen.2020.100740 Dittami et al., Marine Genomics]), alongside with a first version of a genome-scale metabolic network (still available at  http://gem-aureme.irisa.fr/sububftgem). In a follow-up study (Girard et al., ''in preparation'') we are now curating specifically the sterol biosynthesis pathways (PWY-8191, PWY-8238).
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* common-name:
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** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
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== Automatic reconstruction with [http://aureme.genouest.org AuReMe] ==
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* inchi-key:
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Model summary: [[MEDIA:summary.txt|summary]]
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** jhiwifrqjxlneu-gsqagghasa-m
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* molecular-weight:
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Download '''AuReMe''' Input/Output [LINK OR MEDIA data]
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** 427.646
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* smiles:
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The automatic reconstruction of ''Ectocarpus subulatus strain BFT'' results to a Genome scale [[MEDIA:model.xml|Model]] containing 2086 reactions, 2204 metabolites, 5052 genes and 1152 pathways. This GeM was obtained based on the following sources:
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** cc(c)=ccc[c@@h](c)[c@h]2(cc[c@h]3(c4(\cc[c@h]1([c@h](c([o-])=o)[c@@h](o)cc[c@@](c)1c(\cc[c@](c)23)=4))))
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* Based on annotation data:
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== Reaction(s) known to consume the compound ==
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** Tool: [http://bioinformatics.ai.sri.com/ptools/ PathwayTools]
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* [[RXN66-318]]
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** Creation of a metabolic network containing 1459 reactions
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== Reaction(s) known to produce the compound ==
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* Based on expertise:
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* [[RXN-13709]]
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** 480 reaction(s) added
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== Reaction(s) of unknown directionality ==
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* Based on orthology data:
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{{#set: common-name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
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** Creation of a global metabolic network containing 417 reactions
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{{#set: inchi-key=inchikey=jhiwifrqjxlneu-gsqagghasa-m}}
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** Tool: [http://pathtastic.gforge.inria.fr Pantograph]
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{{#set: molecular-weight=427.646}}
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*** From template ''a.taliana.aragem'' creation of a metabolic network containing: 417 reactions
 
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[[FILE:venn.png|frameless|border]]
 
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== Collaborative curation ==  
 
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* Suggest reactions to add or remove:
 
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** Download this [[MEDIA:Add_delete_reaction.csv|form]]
 
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* Suggest new reactions to create and add:
 
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** Download this [[MEDIA:Reaction_creator.csv|form]]
 
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* '''Follow the examples given in the form(s) to correctly share your suggestions'''
 
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* Send the filled form(s) to: gem-aureme[AT]inria.fr
 

Latest revision as of 19:37, 17 March 2021

Metabolite CPD-4702

  • common-name:
    • 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
  • inchi-key:
    • jhiwifrqjxlneu-gsqagghasa-m
  • molecular-weight:
    • 427.646
  • smiles:
    • cc(c)=ccc[c@@h](c)[c@h]2(cc[c@h]3(c4(\cc[c@h]1([c@h](c([o-])=o)[c@@h](o)cc[c@@](c)1c(\cc[c@](c)23)=4))))

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Retrieved from "http://gem-aureme.genouest.org//esubgem/index.php?title=CPD-4702&oldid=50445"