Difference between revisions of "CPD-207"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=R313-RXN R313-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** probable_nitrile_hydratase *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-207 CPD-207] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))COP(=O)(OP(=O)(...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=R313-RXN R313-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-207 CPD-207] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))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-]
 
* common name:
 
* common name:
** probable_nitrile_hydratase
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** phenylacetyl-CoA
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/4.2.1.84 EC-4.2.1.84]
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** InChIKey=ZIGIFDRJFZYEEQ-CECATXLMSA-J
 +
* molecular weight:
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** 881.637   
 
* Synonym(s):
 
* Synonym(s):
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** phenylacetate-CoA
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-10821]]
** 1 [[3-CYANOPYRIDINE]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[NIACINAMIDE]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 3-cyanopyridine[c] '''+''' 1 H2O[c] '''=>''' 1 nicotinamide[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_4032]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[P345-PWY]], aldoxime degradation: [http://metacyc.org/META/NEW-IMAGE?object=P345-PWY P345-PWY]
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** '''1''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* BIGG : phaccoa
{{#set: common name=probable_nitrile_hydratase}}
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* PUBCHEM:
{{#set: ec number=EC-4.2.1.84}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266611 45266611]
{{#set: gene associated=Tiso_gene_4032}}
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* HMDB : HMDB06503
{{#set: in pathway=P345-PWY}}
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* LIGAND-CPD:
{{#set: reconstruction category=annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00582 C00582]
{{#set: reconstruction source=annotation-in-silico_annotation}}
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* CHEBI:
{{#set: reconstruction tool=pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57390 57390]
 +
* METABOLIGHTS : MTBLC57390
 +
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))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-]}}
 +
{{#set: common name=phenylacetyl-CoA}}
 +
{{#set: inchi key=InChIKey=ZIGIFDRJFZYEEQ-CECATXLMSA-J}}
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{{#set: molecular weight=881.637    }}
 +
{{#set: common name=phenylacetate-CoA}}
 +
{{#set: consumed by=RXN-10821}}

Latest revision as of 19:31, 21 March 2018

Metabolite CPD-207

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))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-]
  • common name:
    • phenylacetyl-CoA
  • inchi key:
    • InChIKey=ZIGIFDRJFZYEEQ-CECATXLMSA-J
  • molecular weight:
    • 881.637
  • Synonym(s):
    • phenylacetate-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : phaccoa
  • PUBCHEM:
  • HMDB : HMDB06503
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57390
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))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.