Difference between revisions of "CPD-11412"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17609 RXN-17609] == * direction: ** LEFT-TO-RIGHT * common name: ** probable_nitrile_hydratase...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] == * smiles: ** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17609 RXN-17609] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
 
* common name:
 
* common name:
** probable_nitrile_hydratase
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** triiodothyroacetate ester glucuronide
* 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=FPEJNMNXCSITJO-KFYUBCHVSA-M
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* molecular weight:
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** 797.054   
 
* Synonym(s):
 
* Synonym(s):
 +
** triiodothyroacetic acid ester glucuronide
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1 [[2-HYDROXY-2-METHYLPROPANENITRILE]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[CPD-19042]][c]
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* [[RXN-10618]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 2-hydroxy-2-methylpropanenitrile[c] '''+''' 1 H2O[c] '''=>''' 1 2-hydroxyisobutyramide[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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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=probable_nitrile_hydratase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659348 90659348]
{{#set: ec number=EC-4.2.1.84}}
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{{#set: smiles=C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))}}
{{#set: gene associated=Tiso_gene_4032}}
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{{#set: common name=triiodothyroacetate ester glucuronide}}
{{#set: in pathway=}}
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{{#set: inchi key=InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M}}
{{#set: reconstruction category=annotation}}
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{{#set: molecular weight=797.054    }}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=triiodothyroacetic acid ester glucuronide}}
{{#set: reconstruction source=in-silico_annotation}}
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{{#set: produced by=RXN-10618}}

Latest revision as of 21:15, 21 March 2018

Metabolite CPD-11412

  • smiles:
    • C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
  • common name:
    • triiodothyroacetate ester glucuronide
  • inchi key:
    • InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M
  • molecular weight:
    • 797.054
  • Synonym(s):
    • triiodothyroacetic acid ester glucuronide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))" cannot be used as a page name in this wiki.