Difference between revisions of "RXN-115"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17607 RXN-17607] == * direction: ** REVERSIBLE * common name: ** nitrilase * ec number: ** [htt...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])...")
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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-17607 RXN-17607] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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* inchi key:
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** InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
 
* common name:
 
* common name:
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** nitrilase
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** 3-oxopimeloyl-CoA
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/3.5.5.1 EC-3.5.5.1]
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** 918.632   
 
* Synonym(s):
 
* Synonym(s):
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** 3-oxopimelyl-CoA
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** 3-ketopimeloyl-CoA
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** 3-ketopimelyl-CoA
  
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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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== Reaction(s) known to produce the compound ==
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** 2 [[WATER]][c] '''+''' 1 [[2-HYDROXY-2-METHYLPROPANENITRILE]][c] '''<=>''' 1 [[AMMONIUM]][c] '''+''' 1 [[CPD-19014]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[RXN-8032]]
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** 2 H2O[c] '''+''' 1 2-hydroxy-2-methylpropanenitrile[c] '''<=>''' 1 ammonium[c] '''+''' 1 2-hydroxy-2-methylpropanoate[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_10996]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: common name=nitrilase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266579 45266579]
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{{#set: ec number=EC-3.5.5.1}}
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* CHEBI:
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{{#set: gene associated=Tiso_gene_10996}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57350 57350]
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{{#set: in pathway=}}
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* LIGAND-CPD:
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{{#set: reconstruction category=annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06715 C06715]
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{{#set: reconstruction tool=pathwaytools}}
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* HMDB : HMDB12158
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{{#set: reconstruction source=in-silico_annotation}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
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{{#set: inchi key=InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I}}
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{{#set: common name=3-oxopimeloyl-CoA}}
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{{#set: molecular weight=918.632    }}
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{{#set: common name=3-oxopimelyl-CoA|3-ketopimeloyl-CoA|3-ketopimelyl-CoA}}
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{{#set: consumed or produced by=RXN-8032}}

Revision as of 17:08, 10 January 2018

Metabolite 3-OXOPIMELOYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
  • common name:
    • 3-oxopimeloyl-CoA
  • molecular weight:
    • 918.632
  • Synonym(s):
    • 3-oxopimelyl-CoA
    • 3-ketopimeloyl-CoA
    • 3-ketopimelyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.



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