Difference between revisions of "CPD-14596"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11474 RXN-11474] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-oxo-glutaryl-[acp] methyl...")
(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=RXN-11474 RXN-11474] ==
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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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** LEFT-TO-RIGHT
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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
 
* common name:
 
* common name:
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** 3-oxo-glutaryl-[acp] methyl ester synthase
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** neolinustatin
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** 3-oxoacyl-synthase
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* inchi key:
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* ec number:
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** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
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** [http://enzyme.expasy.org/EC/2.3.1.41 EC-2.3.1.41]
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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 [[MALONYL-ACP]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[Malonyl-acp-methyl-ester]][c] '''=>''' 1 [[3-Ketoglutaryl-ACP-methyl-ester]][c] '''+''' 1 [[ACP]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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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 a malonyl-[acp][c] '''+''' 1 H+[c] '''+''' 1 a malonyl-[acp] methyl ester[c] '''=>''' 1 a 3-oxo-glutaryl-[acp] methyl ester[c] '''+''' 1 a holo-[acyl-carrier protein][c] '''+''' 1 CO2[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_19302]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_15991]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_5939]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_14485]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-6519]], 8-amino-7-oxononanoate biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6519 PWY-6519]
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** '''9''' reactions found over '''11''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* LIGAND-CPD:
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{{#set: common name=3-oxo-glutaryl-[acp] methyl ester synthase}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
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{{#set: common name=3-oxoacyl-synthase}}
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* HMDB : HMDB38482
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{{#set: ec number=EC-2.3.1.41}}
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* CHEBI:
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{{#set: gene associated=Tiso_gene_19302|Tiso_gene_15991|Tiso_gene_5939|Tiso_gene_14485}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
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{{#set: in pathway=PWY-6519}}
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* PUBCHEM:
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{{#set: reconstruction category=orthology|annotation}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
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{{#set: reconstruction source=annotation-experimental_annotation|annotation-in-silico_annotation|orthology-esiliculosus}}
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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: reconstruction tool=pantograph|pathwaytools}}
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{{#set: common name=neolinustatin}}
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{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
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{{#set: molecular weight=423.416    }}
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{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
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{{#set: consumed by=RXN-13603}}

Latest revision as of 20:22, 21 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
  • common name:
    • neolinustatin
  • inchi key:
    • InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
  • 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




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-14596&oldid=48248"