Difference between revisions of "CPD0-2461"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXANONE CYCLOHEXANONE] == * smiles: ** C1(CCC(CC1)=O) * common name: ** cyclohexanone * i...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] == * smiles: ** C2(=NC1(=C(NC(N=C(N)1)=O)N2)) * common name: ** isoguanine...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXANONE CYCLOHEXANONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] ==
 
* smiles:
 
* smiles:
** C1(CCC(CC1)=O)
+
** C2(=NC1(=C(NC(N=C(N)1)=O)N2))
 
* common name:
 
* common name:
** cyclohexanone
+
** isoguanine
 
* inchi key:
 
* inchi key:
** InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N
+
** InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 98.144    
+
** 151.127    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-oxoadenine
 +
** 2-hydroxyadenine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-15139]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 108-94-1
 
* DRUGBANK : DB02060
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7967 7967]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=76900 76900]
* HMDB : HMDB03315
+
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00414 C00414]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.7679.html 7679]
+
** [http://www.chemspider.com/Chemical-Structure.69351.html 69351]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17854 17854]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62462 62462]
* METABOLIGHTS : MTBLC17854
+
* HMDB : HMDB00403
{{#set: smiles=C1(CCC(CC1)=O)}}
+
{{#set: smiles=C2(=NC1(=C(NC(N=C(N)1)=O)N2))}}
{{#set: common name=cyclohexanone}}
+
{{#set: common name=isoguanine}}
{{#set: inchi key=InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N}}
{{#set: molecular weight=98.144   }}
+
{{#set: molecular weight=151.127   }}
{{#set: consumed by=CYCLOHEXANONE-MONOOXYGENASE-RXN}}
+
{{#set: common name=2-oxoadenine|2-hydroxyadenine}}
 +
{{#set: produced by=RXN-15139}}

Latest revision as of 20:24, 21 March 2018

Metabolite CPD0-2461

  • smiles:
    • C2(=NC1(=C(NC(N=C(N)1)=O)N2))
  • common name:
    • isoguanine
  • inchi key:
    • InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
  • molecular weight:
    • 151.127
  • Synonym(s):
    • 2-oxoadenine
    • 2-hydroxyadenine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links