Difference between revisions of "CPD-3481"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=MALIC-NADP-RXN MALIC-NADP-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expa...")
 
(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...")
 
(3 intermediate revisions 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=MALIC-NADP-RXN MALIC-NADP-RXN] ==
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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/1.1.1.40 EC-1.1.1.40]
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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 [[NADP]][c] '''+''' 1 [[MAL]][c] '''=>''' 1 [[PYRUVATE]][c] '''+''' 1 [[NADPH]][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 NADP+[c] '''+''' 1 (S)-malate[c] '''=>''' 1 pyruvate[c] '''+''' 1 NADPH[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_6675]]
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** [[pantograph]]-[[synechocystis]]
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* [[Tiso_gene_12200]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[synechocystis]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_12896]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[synechocystis]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-241]], C4 photosynthetic carbon assimilation cycle, NADP-ME type: [http://metacyc.org/META/NEW-IMAGE?object=PWY-241 PWY-241]
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** '''2''' reactions found over '''5''' reactions in the full pathway
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* [[GLUCONEO-PWY]], gluconeogenesis I: [http://metacyc.org/META/NEW-IMAGE?object=GLUCONEO-PWY GLUCONEO-PWY]
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** '''13''' reactions found over '''13''' reactions in the full pathway
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* [[PWY-7117]], C4 photosynthetic carbon assimilation cycle, PEPCK type: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7117 PWY-7117]
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** '''7''' reactions found over '''10''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[synechocystis]]
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*** [[esiliculosus]]
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*** [[athaliana]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* DRUGBANK : DB01156
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=18253 18253]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24849133 24849133]
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** [http://www.genome.jp/dbget-bin/www_bget?R00216 R00216]
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* HMDB : HMDB01510
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* UNIPROT:
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P12628 P12628]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3219 3219]
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** [http://www.uniprot.org/uniprot/P06801 P06801]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P13697 P13697]
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** [http://www.genome.jp/dbget-bin/www_bget?C06860 C06860]
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** [http://www.uniprot.org/uniprot/P16243 P16243]
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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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** [http://www.uniprot.org/uniprot/O48656 O48656]
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{{#set: common name=bupropion}}
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** [http://www.uniprot.org/uniprot/P22178 P22178]
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{{#set: inchi key=InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O}}
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** [http://www.uniprot.org/uniprot/P93139 P93139]
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{{#set: molecular weight=240.752    }}
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** [http://www.uniprot.org/uniprot/P34105 P34105]
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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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** [http://www.uniprot.org/uniprot/P28227 P28227]
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{{#set: consumed by=RXN66-181}}
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** [http://www.uniprot.org/uniprot/P36444 P36444]
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** [http://www.uniprot.org/uniprot/P40927 P40927]
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** [http://www.uniprot.org/uniprot/P37223 P37223]
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** [http://www.uniprot.org/uniprot/P48163 P48163]
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** [http://www.uniprot.org/uniprot/Q16798 Q16798]
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** [http://www.uniprot.org/uniprot/O50015 O50015]
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** [http://www.uniprot.org/uniprot/O04935 O04935]
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** [http://www.uniprot.org/uniprot/O04936 O04936]
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** [http://www.uniprot.org/uniprot/P37222 P37222]
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** [http://www.uniprot.org/uniprot/Q42888 Q42888]
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** [http://www.uniprot.org/uniprot/Q42889 Q42889]
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: ec number=EC-1.1.1.40}}
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{{#set: gene associated=Tiso_gene_6675|Tiso_gene_12200|Tiso_gene_12896}}
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{{#set: in pathway=PWY-241|GLUCONEO-PWY|PWY-7117}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=synechocystis|esiliculosus|athaliana}}
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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.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-3481&oldid=47502"