Difference between revisions of "CPD-3481"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=HDS HDS] == * direction: ** REVERSIBLE * common name: ** 4-hydroxy-3-methylbut-2-en-1-yl diphosphat...")
(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...")
 
(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=HDS HDS] ==
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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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** REVERSIBLE
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** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)
 
* common name:
 
* common name:
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** 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase
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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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** 1.0 [[2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE]][h] '''+''' 1.0 [[Protein-Dithiols]][h] '''<=>''' 1.0 [[Protein-Disulfides]][h] '''+''' 1.0 [[WATER]][h] '''+''' 1.0 [[HYDROXY-METHYL-BUTENYL-DIP]][h] '''+''' 1.0 [[PROTON]][h]
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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 2-C-methyl-D-erythritol-2,4-cyclodiphosphate[h] '''+''' 1.0 a protein dithiol[h] '''<=>''' 1.0 a protein disulfide[h] '''+''' 1.0 H2O[h] '''+''' 1.0 (E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate[h] '''+''' 1.0 H+[h]
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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_15758]]
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** [[pantograph]]-[[creinhardtii]]
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-creinhardtii]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* DRUGBANK : DB01156
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{{#set: common name=4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase}}
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* PUBCHEM:
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{{#set: gene associated=Tiso_gene_15758}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24849133 24849133]
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{{#set: in pathway=}}
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* HMDB : HMDB01510
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{{#set: reconstruction category=orthology}}
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* CHEBI:
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{{#set: reconstruction source=orthology-creinhardtii}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3219 3219]
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{{#set: reconstruction tool=pantograph}}
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C06860 C06860]
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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|&alpha;-(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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