Difference between revisions of "Tiso gene 1369"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_NA+ ExchangeSeed_NA+] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_NA+ ExchangeSeed_NA+] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
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* inchi key:
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** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
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* common name:
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** neolinustatin
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* molecular weight:
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** 423.416   
 
* Synonym(s):
 
* Synonym(s):
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** butanenitrile
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** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN-13603]]
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** 1.0 [[NA+]][C-BOUNDARY] '''<=>''' 1.0 [[NA+]][e]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1.0 Na+[C-BOUNDARY] '''<=>''' 1.0 Na+[e]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* [[manual]]:
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** [[added to manage seeds from boundary to extracellular compartment]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* LIGAND-CPD:
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{{#set: in pathway=}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
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{{#set: reconstruction category=manual}}
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* CHEBI:
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{{#set: reconstruction source=added to manage seeds from boundary to extracellular compartment}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
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* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
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* HMDB : HMDB38482
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{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
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{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
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{{#set: common name=neolinustatin}}
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{{#set: molecular weight=423.416    }}
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{{#set: common name=butanenitrile|[(2R)-2-(6-O-&beta;-D-glucopyranosyl-&beta;-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
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{{#set: consumed by=RXN-13603}}

Revision as of 18:59, 18 March 2018

Metabolite CPD-14596

  • smiles:
    • CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
  • inchi key:
    • InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
  • common name:
    • neolinustatin
  • molecular weight:
    • 423.416
  • Synonym(s):
    • butanenitrile
    • [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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