Difference between revisions of "RXN-15560"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14275 RXN-14275] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP...")
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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-14275 RXN-14275] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1.M19 EC-1.1.1.M19]
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** InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
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* common name:
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** 3-oxo-3-phenylpropanoyl-CoA
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* molecular weight:
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** 909.648   
 
* Synonym(s):
 
* Synonym(s):
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** benzoyl-acetyl-CoA
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** oxocinnamoyl-CoA
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** 3-keto-3-phenylpropionyl-CoA
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** β-oxophenyl-propionyl-CoA
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** 3-oxo-3-phenylpropionyl-coenzyme A
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** 3-oxo-3-phenylpropionyl-CoA
  
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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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* [[RXN-2006]]
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** 1 [[NAD]][c] '''+''' 1 [[CPD-14916]][c] '''=>''' 1 [[CPD0-2106]][c] '''+''' 1 [[NADH]][c] '''+''' 1 [[PROTON]][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 NAD+[c] '''+''' 1 (R)-3-hydroxyoctanoyl-CoA[c] '''=>''' 1 3-oxooctanoyl-CoA[c] '''+''' 1 NADH[c] '''+''' 1 H+[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_14026]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_14027]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_5857]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-6920]], 6-gingerol analog biosynthesis (engineered): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6920 PWY-6920]
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** '''5''' reactions found over '''6''' 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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*** [[esiliculosus]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* LIGAND-CPD:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=31196 31196]
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** [http://www.genome.jp/dbget-bin/www_bget?C07118 C07118]
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* LIGAND-RXN:
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* CHEBI:
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** [http://www.genome.jp/dbget-bin/www_bget?R04745 R04745]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27388 27388]
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{{#set: direction=LEFT-TO-RIGHT}}
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* METABOLIGHTS : MTBLC27388
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{{#set: ec number=EC-1.1.1.M19}}
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* PUBCHEM:
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{{#set: gene associated=Tiso_gene_14026|Tiso_gene_14027|Tiso_gene_5857}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203310 25203310]
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{{#set: in pathway=PWY-6920}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
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{{#set: reconstruction category=orthology}}
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{{#set: inchi key=InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: common name=3-oxo-3-phenylpropanoyl-CoA}}
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{{#set: reconstruction source=esiliculosus}}
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{{#set: molecular weight=909.648    }}
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{{#set: common name=benzoyl-acetyl-CoA|oxocinnamoyl-CoA|3-keto-3-phenylpropionyl-CoA|β-oxophenyl-propionyl-CoA|3-oxo-3-phenylpropionyl-coenzyme A|3-oxo-3-phenylpropionyl-CoA}}
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{{#set: consumed by=RXN-2006}}

Revision as of 17:06, 10 January 2018

Metabolite CPD-514

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
  • common name:
    • 3-oxo-3-phenylpropanoyl-CoA
  • molecular weight:
    • 909.648
  • Synonym(s):
    • benzoyl-acetyl-CoA
    • oxocinnamoyl-CoA
    • 3-keto-3-phenylpropionyl-CoA
    • β-oxophenyl-propionyl-CoA
    • 3-oxo-3-phenylpropionyl-coenzyme A
    • 3-oxo-3-phenylpropionyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.



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