Difference between revisions of "Tiso gene 13588"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] == * smiles: ** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2)) * common name: ** cotinin...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] ==
 
* smiles:
 
* smiles:
** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
+
** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
* inchi key:
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** InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** paraxanthine
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** cotinine
 +
* inchi key:
 +
** InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
 
* molecular weight:
 
* molecular weight:
** 180.166    
+
** 176.218    
 
* Synonym(s):
 
* Synonym(s):
** 1,7-dimethylxanthine
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11520]]
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* [[RXN66-169]]
 +
* [[RXN66-161]]
 +
* [[RXN66-168]]
 +
* [[RXN66-163]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4687 4687]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=854019 854019]
* HMDB : HMDB01860
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4525.html 4525]
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** [http://www.chemspider.com/Chemical-Structure.746405.html 746405]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25858 25858]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68641 68641]
* METABOLIGHTS : MTBLC25858
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* METABOLIGHTS : MTBLC68641
{{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}}
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* HMDB : HMDB01046
{{#set: inchi key=InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N}}
+
{{#set: smiles=C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))}}
{{#set: common name=paraxanthine}}
+
{{#set: common name=cotinine}}
{{#set: molecular weight=180.166   }}
+
{{#set: inchi key=InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N}}
{{#set: common name=1,7-dimethylxanthine}}
+
{{#set: molecular weight=176.218   }}
{{#set: consumed by=RXN-11520}}
+
{{#set: consumed by=RXN66-169|RXN66-161|RXN66-168|RXN66-163}}

Revision as of 15:40, 21 March 2018

Metabolite CPD-2742

  • smiles:
    • C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
  • common name:
    • cotinine
  • inchi key:
    • InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
  • molecular weight:
    • 176.218
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC68641
  • HMDB : HMDB01046
"C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))" cannot be used as a page name in this wiki.