Difference between revisions of "3-CYANOPYRIDINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17050 CPD-17050] == * smiles: ** C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3) * common name...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CYANOPYRIDINE 3-CYANOPYRIDINE] == * smiles: ** C(C1(=CN=CC=C1))#N * common name: ** 3-cyanopy...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17050 CPD-17050] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-CYANOPYRIDINE 3-CYANOPYRIDINE] ==
 
* smiles:
 
* smiles:
** C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3)
+
** C(C1(=CN=CC=C1))#N
 
* common name:
 
* common name:
** 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine
+
** 3-cyanopyridine
 
* inchi key:
 
* inchi key:
** InChIKey=POIIJAAGMGNXLO-VXGBXAGGSA-N
+
** InChIKey=GZPHSAQLYPIAIN-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 296.358    
+
** 104.111    
 
* Synonym(s):
 
* Synonym(s):
** 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-DKP
 
** 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)piperazine-2,5-dione
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[R313-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15684]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 100-54-9
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657891 90657891]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=79 79]
{{#set: smiles=C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3)}}
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* CHEMSPIDER:
{{#set: common name=3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine}}
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** [http://www.chemspider.com/Chemical-Structure.78.html 78]
{{#set: inchi key=InChIKey=POIIJAAGMGNXLO-VXGBXAGGSA-N}}
+
* CHEBI:
{{#set: molecular weight=296.358   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86556 86556]
{{#set: common name=3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-DKP|3-benzyl-3,6 -disulfide-6-(hydroxymethyl)piperazine-2,5-dione}}
+
* NCI:
{{#set: produced by=RXN-15684}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=17558 17558]
 +
{{#set: smiles=C(C1(=CN=CC=C1))#N}}
 +
{{#set: common name=3-cyanopyridine}}
 +
{{#set: inchi key=InChIKey=GZPHSAQLYPIAIN-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=104.111   }}
 +
{{#set: consumed by=R313-RXN}}

Latest revision as of 19:24, 21 March 2018

Metabolite 3-CYANOPYRIDINE

  • smiles:
    • C(C1(=CN=CC=C1))#N
  • common name:
    • 3-cyanopyridine
  • inchi key:
    • InChIKey=GZPHSAQLYPIAIN-UHFFFAOYSA-N
  • molecular weight:
    • 104.111
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links