Difference between revisions of "CPD-3481"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-2541 RXN-2541] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/2....")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3481 CPD-3481] == * smiles: ** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1) * common name: ** bup...")
 
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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-2541 RXN-2541] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3481 CPD-3481] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/2.5.1.115 EC-2.5.1.115]
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** bupropion
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* inchi key:
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** InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O
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* molecular weight:
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** 240.752   
 
* Synonym(s):
 
* Synonym(s):
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** (-)-2-(tert-butylamino)-3'-chloropropiophenone
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** 1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-
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** (+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
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** amfebutamonum
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** α-(tert-butylamino)-m-chloropropiophenone
  
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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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* [[RXN66-181]]
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** 1 [[PHYTYL-PYROPHOSPHATE]][c] '''+''' 1 [[HOMOGENTISATE]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[PPI]][c] '''+''' 1 [[MPBQ]][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 phytyl diphosphate[c] '''+''' 1 homogentisate[c] '''+''' 1 H+[c] '''=>''' 1 diphosphate[c] '''+''' 1 2-methyl-6-phytyl-1,4-benzoquinol[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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* Gene: [[Tiso_gene_13582]]
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** Source: [[orthology-athaliana]]
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** Source: [[orthology-synechocystis]]
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** Source: [[orthology-creinhardtii]]
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== Pathways  ==
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* [[PWY-1422]], vitamin E biosynthesis (tocopherols): [http://metacyc.org/META/NEW-IMAGE?object=PWY-1422 PWY-1422]
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** '''5''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-athaliana]]
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*** Tool: [[pantograph]]
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** Source: [[orthology-creinhardtii]]
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*** Tool: [[pantograph]]
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** Source: [[orthology-synechocystis]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* DRUGBANK : DB01156
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** [http://www.genome.jp/dbget-bin/www_bget?R07500 R07500]
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* PUBCHEM:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24849133 24849133]
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{{#set: ec number=EC-2.5.1.115}}
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* HMDB : HMDB01510
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{{#set: gene associated=Tiso_gene_13582}}
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* CHEBI:
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{{#set: in pathway=PWY-1422}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3219 3219]
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{{#set: reconstruction category=orthology}}
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* LIGAND-CPD:
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{{#set: reconstruction source=orthology-athaliana|orthology-creinhardtii|orthology-synechocystis}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06860 C06860]
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{{#set: reconstruction tool=pantograph}}
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{{#set: smiles=CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)}}
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{{#set: common name=bupropion}}
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{{#set: inchi key=InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O}}
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{{#set: molecular weight=240.752    }}
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{{#set: common name=(-)-2-(tert-butylamino)-3'-chloropropiophenone|1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-|(+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone|amfebutamonum|α-(tert-butylamino)-m-chloropropiophenone}}
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{{#set: consumed by=RXN66-181}}

Latest revision as of 20:17, 21 March 2018

Metabolite CPD-3481

  • smiles:
    • CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)
  • common name:
    • bupropion
  • inchi key:
    • InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O
  • molecular weight:
    • 240.752
  • Synonym(s):
    • (-)-2-(tert-butylamino)-3'-chloropropiophenone
    • 1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-
    • (+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
    • amfebutamonum
    • α-(tert-butylamino)-m-chloropropiophenone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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