Difference between revisions of "CPD-8985"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16491 CPD-16491] == * smiles: ** CN([CH]=O)C1(C(O)=NC(N)=NC(N)=1) * inchi key: ** InChIKey=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8985 CPD-8985] == * smiles: ** C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O) * common name: ** (+)-(...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16491 CPD-16491] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8985 CPD-8985] ==
 
* smiles:
 
* smiles:
−
** CN([CH]=O)C1(C(O)=NC(N)=NC(N)=1)
+
** C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)
−
* inchi key:
+
−
** InChIKey=CGWDNAFNQOBSCK-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** 2,6-diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine
+
** (+)-(1R,2R)-1,2-diphenylethane-1,2-diol
 +
* inchi key:
 +
** InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N
 
* molecular weight:
 
* molecular weight:
−
** 183.169    
+
** 214.263    
 
* Synonym(s):
 
* Synonym(s):
−
** N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide
 
  
 
== 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 ==
−
* [[3.2.2.23-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[3.3.2.9-RXN]]
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C04744 C04744]
 
−
* HMDB : HMDB11657
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28643 28643]
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=127546 127546]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=853019 853019]
−
{{#set: smiles=CN([CH]=O)C1(C(O)=NC(N)=NC(N)=1)}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=CGWDNAFNQOBSCK-UHFFFAOYSA-N}}
+
** [http://www.chemspider.com/Chemical-Structure.745456.html 745456]
−
{{#set: common name=2,6-diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine}}
+
* HMDB : HMDB12111
−
{{#set: molecular weight=183.169   }}
+
* CHEBI:
−
{{#set: common name=N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50014 50014]
−
{{#set: produced by=3.2.2.23-RXN}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C16015 C16015]
 +
{{#set: smiles=C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)}}
 +
{{#set: common name=(+)-(1R,2R)-1,2-diphenylethane-1,2-diol}}
 +
{{#set: inchi key=InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N}}
 +
{{#set: molecular weight=214.263   }}
 +
{{#set: reversible reaction associated=3.3.2.9-RXN}}

Latest revision as of 20:21, 21 March 2018

Metabolite CPD-8985

  • smiles:
    • C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)
  • common name:
    • (+)-(1R,2R)-1,2-diphenylethane-1,2-diol
  • inchi key:
    • InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N
  • molecular weight:
    • 214.263
  • 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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