Difference between revisions of "CPD-5162"

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(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) * inchi key: ** InChI...")
 
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11917 RXN-11917] == * direction: ** LEFT-TO-RIGHT * common name: ** 7-methyl-3-oxo-6-octenoyl-C...")
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[[Category:Metabolite]]
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[[Category:Reaction]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3481 CPD-3481] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11917 RXN-11917] ==
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* smiles:
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* direction:
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** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)
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** LEFT-TO-RIGHT
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* inchi key:
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** InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O
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* common name:
 
* common name:
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** bupropion
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** 7-methyl-3-oxo-6-octenoyl-CoA:acetyl-CoA C-acyltransferase
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* molecular weight:
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* ec number:
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** 240.752   
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** [http://enzyme.expasy.org/EC/2.3.1 EC-2.3.1]
 
* Synonym(s):
 
* Synonym(s):
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** (-)-2-(tert-butylamino)-3'-chloropropiophenone
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** 7-methyl-3-oxo-6-octenoyl-CoA thiolase
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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(s) known to consume the compound ==
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== Reaction Formula ==
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* [[RXN66-181]]
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[CPD-12897]][c] '''+''' 1 [[CO-A]][c] '''=>''' 1 [[CPD-12902]][c] '''+''' 1 [[ACETYL-COA]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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** 1 7-methyl-3-oxooct-6-enoyl-CoA[c] '''+''' 1 coenzyme A[c] '''=>''' 1 5-methylhex-4-enoyl-CoA[c] '''+''' 1 acetyl-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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* [[Ec-26_003940]]
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** [[pantograph]]-[[aragem]]
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== Pathways  ==
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* [[PWY-6672]], cis-genanyl-CoA degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6672 PWY-6672]
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** '''4''' reactions found over '''9''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-aragem]]
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*** Tool: [[pantograph]]
 
== External links  ==
 
== External links  ==
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* DRUGBANK : DB01156
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R08091 R08091]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24849133 24849133]
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{{#set: direction=LEFT-TO-RIGHT}}
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* CHEBI:
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{{#set: common name=7-methyl-3-oxo-6-octenoyl-CoA:acetyl-CoA C-acyltransferase}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3219 3219]
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{{#set: ec number=EC-2.3.1}}
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* LIGAND-CPD:
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{{#set: common name=7-methyl-3-oxo-6-octenoyl-CoA thiolase}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06860 C06860]
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{{#set: gene associated=Ec-26_003940}}
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* HMDB : HMDB01510
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{{#set: in pathway=PWY-6672}}
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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: reconstruction category=orthology}}
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{{#set: inchi key=InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O}}
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{{#set: reconstruction source=orthology-aragem}}
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{{#set: common name=bupropion}}
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{{#set: reconstruction tool=pantograph}}
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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}}
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Revision as of 22:57, 17 March 2018

Reaction RXN-11917

  • direction:
    • LEFT-TO-RIGHT
  • common name:
    • 7-methyl-3-oxo-6-octenoyl-CoA:acetyl-CoA C-acyltransferase
  • ec number:
  • Synonym(s):
    • 7-methyl-3-oxo-6-octenoyl-CoA thiolase

Reaction Formula

  • With identifiers:
  • With common name(s):
    • 1 7-methyl-3-oxooct-6-enoyl-CoA[c] + 1 coenzyme A[c] => 1 5-methylhex-4-enoyl-CoA[c] + 1 acetyl-CoA[c]

Genes associated with this reaction

Genes have been associated with this reaction based on different elements listed below.

Pathways

  • PWY-6672, cis-genanyl-CoA degradation: PWY-6672
    • 4 reactions found over 9 reactions in the full pathway

Reconstruction information

External links





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