Difference between revisions of "CPD-8890"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-5901 RXN-5901] == * direction: ** LEFT-TO-RIGHT * common name: ** polyketide_synthase * ec numb...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[...")
 
(One intermediate revision by the same user not shown)
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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-5901 RXN-5901] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
 
* common name:
 
* common name:
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** polyketide_synthase
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** betanidin quinone
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1.36 EC-1.1.1.36]
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** InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L
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* molecular weight:
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** 384.301   
 
* Synonym(s):
 
* Synonym(s):
  
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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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** 1 [[PROTON]][c] '''+''' 1 [[ACETOACETYL-COA]][c] '''+''' 1 [[NADPH]][c] '''=>''' 1 [[NADP]][c] '''+''' 1 [[CPD-650]][c]
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* [[RXN-8635]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H+[c] '''+''' 1 acetoacetyl-CoA[c] '''+''' 1 NADPH[c] '''=>''' 1 NADP+[c] '''+''' 1 (3R)-3-hydroxybutanoyl-CoA[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_6562]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_136]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_500]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5425]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_6563]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_135]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_10876]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5424]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_13394]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5741]], ethylmalonyl-CoA pathway: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5741 PWY-5741]
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** '''2''' reactions found over '''11''' reactions in the full pathway
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* [[PWY1-3]], polyhydroxybutanoate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY1-3 PWY1-3]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-7216]], (R)- and (S)-3-hydroxybutanoate biosynthesis (engineered): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7216 PWY-7216]
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** '''3''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-5676]], acetyl-CoA fermentation to butanoate II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5676 PWY-5676]
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** '''2''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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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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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R01977 R01977]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246300 25246300]
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}}
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{{#set: common name=polyketide_synthase}}
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{{#set: common name=betanidin quinone}}
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{{#set: ec number=EC-1.1.1.36}}
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{{#set: inchi key=InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L}}
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{{#set: gene associated=Tiso_gene_6562|Tiso_gene_136|Tiso_gene_500|Tiso_gene_5425|Tiso_gene_6563|Tiso_gene_135|Tiso_gene_10876|Tiso_gene_5424|Tiso_gene_13394}}
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{{#set: molecular weight=384.301    }}
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{{#set: in pathway=PWY-5741|PWY1-3|PWY-7216|PWY-5676}}
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{{#set: produced by=RXN-8635}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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Latest revision as of 19:44, 21 March 2018

Metabolite CPD-8890

  • smiles:
    • C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
  • common name:
    • betanidin quinone
  • inchi key:
    • InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L
  • molecular weight:
    • 384.301
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.



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