Difference between revisions of "CPD-14717"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=PYRAZIN-RXN PYRAZIN-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** amidase * ec number: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14717 CPD-14717] == * smiles: ** CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=PYRAZIN-RXN PYRAZIN-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14717 CPD-14717] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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* inchi key:
 +
** InChIKey=OJQMIXCIJFLULT-MXQBTARFSA-J
 
* common name:
 
* common name:
** amidase
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** (R)-2-hydroxy-stearoyl-CoA
* ec number:
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* molecular weight:
** [http://enzyme.expasy.org/EC/3.5.1.4 EC-3.5.1.4]
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** 1045.968   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.]]
** 1 [[PYRAZINAMIDE]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[PYRAZINOIC-ACID]][c] '''+''' 1 [[AMMONIUM]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.]]
** 1 pyrazinamide[c] '''+''' 1 H2O[c] '''=>''' 1 pyrazine-2-carboxylate[c] '''+''' 1 ammonium[c]
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== Reaction(s) of unknown directionality ==
 
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* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
== 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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* Gene: [[Tiso_gene_13682]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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== Pathways  ==
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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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* PUBCHEM:
{{#set: common name=amidase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658965 90658965]
{{#set: ec number=EC-3.5.1.4}}
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{{#set: smiles=CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
{{#set: gene associated=Tiso_gene_13682}}
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{{#set: inchi key=InChIKey=OJQMIXCIJFLULT-MXQBTARFSA-J}}
{{#set: in pathway=}}
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{{#set: common name=(R)-2-hydroxy-stearoyl-CoA}}
{{#set: reconstruction category=annotation}}
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{{#set: molecular weight=1045.968    }}
{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: consumed by=RXN66-475-CPD-14717//CPD-14719/FORMYL-COA.32.}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: produced by=RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.}}
 +
{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}

Latest revision as of 20:18, 21 March 2018

Metabolite CPD-14717

  • smiles:
    • CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=OJQMIXCIJFLULT-MXQBTARFSA-J
  • common name:
    • (R)-2-hydroxy-stearoyl-CoA
  • molecular weight:
    • 1045.968
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.