Difference between revisions of "NN-DIMETHYLANILINE-N-OXIDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] == * smiles: ** C(C(=O)[O-])(NC(=O)N)NC(=O)N * inchi key: ** InChIKey=NU...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE-N-OXIDE NN-DIMETHYLANILINE-N-OXIDE] == * smiles: ** CN(C)(=O)C1(C=CC=CC=1) *...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NN-DIMETHYLANILINE-N-OXIDE NN-DIMETHYLANILINE-N-OXIDE] ==
 
* smiles:
 
* smiles:
−
** C(C(=O)[O-])(NC(=O)N)NC(=O)N
+
** CN(C)(=O)C1(C=CC=CC=1)
−
* inchi key:
+
−
** InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** allantoate
+
** N,N-dimethylaniline-N-oxide
 +
* inchi key:
 +
** InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 175.124    
+
** 137.181    
 
* Synonym(s):
 
* Synonym(s):
−
** allantoic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[ALLANTOICASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
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* [[ALLANTOINASE-RXN]]
+
* [[1.14.13.8-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 99-16-1
 
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* METABOLIGHTS : MTBLC17536
 
−
* DRUGBANK : DB04380
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5287444 5287444]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=950 950]
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* HMDB : HMDB01209
+
−
* LIGAND-CPD:
+
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** [http://www.genome.jp/dbget-bin/www_bget?C00499 C00499]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4449824.html 4449824]
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** [http://www.chemspider.com/Chemical-Structure.925.html 925]
 +
* HMDB : HMDB01466
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17536 17536]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17735 17735]
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* BIGG : alltt
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* LIGAND-CPD:
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{{#set: smiles=C(C(=O)[O-])(NC(=O)N)NC(=O)N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01183 C01183]
−
{{#set: inchi key=InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M}}
+
{{#set: smiles=CN(C)(=O)C1(C=CC=CC=1)}}
−
{{#set: common name=allantoate}}
+
{{#set: common name=N,N-dimethylaniline-N-oxide}}
−
{{#set: molecular weight=175.124   }}
+
{{#set: inchi key=InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N}}
−
{{#set: common name=allantoic acid}}
+
{{#set: molecular weight=137.181   }}
−
{{#set: consumed by=ALLANTOICASE-RXN}}
+
{{#set: produced by=1.14.13.8-RXN}}
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{{#set: produced by=ALLANTOINASE-RXN}}
+

Latest revision as of 21:12, 21 March 2018

Metabolite NN-DIMETHYLANILINE-N-OXIDE

  • smiles:
    • CN(C)(=O)C1(C=CC=CC=1)
  • common name:
    • N,N-dimethylaniline-N-oxide
  • inchi key:
    • InChIKey=LKQUDAOAMBKKQW-UHFFFAOYSA-N
  • molecular weight:
    • 137.181
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



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