Difference between revisions of "CPD-2743"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] == * smiles: ** C(CCC(O)CC(C([O-])=O)=O)([O-])=O * inchi key: ** InChIKey=HNOA...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2743 CPD-2743] == * smiles: ** C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2)) * inchi key: ** InChIKey=...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2743 CPD-2743] ==
 
* smiles:
 
* smiles:
−
** C(CCC(O)CC(C([O-])=O)=O)([O-])=O
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** C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
+
** InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N
 
* common name:
 
* common name:
−
** (4S)-4-hydroxy-2-oxoheptanedioate
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** nicotine-1'-N-oxide
 
* molecular weight:
 
* molecular weight:
−
** 188.137    
+
** 178.233    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-hydroxy-2-ketoheptane-1,7-dioate
+
** nicotine N'-oxide
−
** 2-oxo-4-hydroxyhepta-1,7-dioate
+
−
** 4-hydroxy-2-oxo-heptanedioate
+
−
** 4-hydroxy-2-ketopimelate
+
−
** 2-keto-4-hydroxypimelate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-81]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615324 23615324]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=68107 68107]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.19951289.html 19951289]
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** [http://www.chemspider.com/Chemical-Structure.61415.html 61415]
−
* CHEBI:
+
* HMDB : HMDB01497
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73036 73036]
+
{{#set: smiles=C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))}}
−
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C05601 C05601]
+
{{#set: common name=nicotine-1'-N-oxide}}
−
{{#set: smiles=C(CCC(O)CC(C([O-])=O)=O)([O-])=O}}
+
{{#set: molecular weight=178.233   }}
−
{{#set: inchi key=InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L}}
+
{{#set: common name=nicotine N'-oxide}}
−
{{#set: common name=(4S)-4-hydroxy-2-oxoheptanedioate}}
+
{{#set: produced by=RXN66-81}}
−
{{#set: molecular weight=188.137   }}
+
−
{{#set: common name=4-hydroxy-2-ketoheptane-1,7-dioate|2-oxo-4-hydroxyhepta-1,7-dioate|4-hydroxy-2-oxo-heptanedioate|4-hydroxy-2-ketopimelate|2-keto-4-hydroxypimelate}}
+
−
{{#set: consumed by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN}}
+

Latest revision as of 19:38, 21 March 2018

Metabolite CPD-2743

  • smiles:
    • C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))
  • inchi key:
    • InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N
  • common name:
    • nicotine-1'-N-oxide
  • molecular weight:
    • 178.233
  • Synonym(s):
    • nicotine N'-oxide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEMSPIDER:
  • HMDB : HMDB01497
"C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))" cannot be used as a page name in this wiki.



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