Difference between revisions of "CPD-2743"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE] == * smiles: **...")
(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=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2743 CPD-2743] ==
 
* smiles:
 
* smiles:
−
** CC(=O)NC2(C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)
+
** C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=KFEUJDWYNGMDBV-LODBTCKLSA-N
+
** InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N
 
* common name:
 
* common name:
−
** β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine
+
** nicotine-1'-N-oxide
 
* molecular weight:
 
* molecular weight:
−
** 383.352    
+
** 178.233    
 
* Synonym(s):
 
* Synonym(s):
−
** β-D-galactosyl-1,4-N-acetyl-D-glucosamine
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** nicotine N'-oxide
−
** N-acetyllactosamine
+
−
** β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine
+
−
** type 2 core
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== 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 ==
−
* [[RXN-15268]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 32181-59-2
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439271 439271]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=68107 68107]
−
* HMDB : HMDB01542
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* CHEMSPIDER:
−
* LIGAND-CPD:
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** [http://www.chemspider.com/Chemical-Structure.61415.html 61415]
−
** [http://www.genome.jp/dbget-bin/www_bget?C00611 C00611]
+
* HMDB : HMDB01497
−
* CHEBI:
+
{{#set: smiles=C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16153 16153]
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{{#set: inchi key=InChIKey=RWFBQHICRCUQJJ-NUHJPDEHSA-N}}
−
* METABOLIGHTS : MTBLC16153
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{{#set: common name=nicotine-1'-N-oxide}}
−
{{#set: smiles=CC(=O)NC2(C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)}}
+
{{#set: molecular weight=178.233   }}
−
{{#set: inchi key=InChIKey=KFEUJDWYNGMDBV-LODBTCKLSA-N}}
+
{{#set: common name=nicotine N'-oxide}}
−
{{#set: common name=β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine}}
+
{{#set: produced by=RXN66-81}}
−
{{#set: molecular weight=383.352   }}
+
−
{{#set: common name=β-D-galactosyl-1,4-N-acetyl-D-glucosamine|N-acetyllactosamine|β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine|type 2 core}}
+
−
{{#set: reversible reaction associated=RXN-15268}}
+

Latest revision as of 20:38, 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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