Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE] == * smiles: ** C2([N+]=CN...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * com...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
 
* smiles:
 
* smiles:
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** C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)
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** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
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* inchi key:
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−
** InChIKey=PDACUKOKVHBVHJ-XVFCMESISA-M
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* common name:
 
* common name:
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** 5-amino-1-(5-phospho-β-D-ribosyl)imidazole
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** scopolin
 +
* inchi key:
 +
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 
* molecular weight:
 
* molecular weight:
−
** 294.18    
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** 354.313    
 
* Synonym(s):
 
* Synonym(s):
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** 5-aminoimidazole ribonucleotide
 
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** 5-amino-1-(5-phospho-D-ribosyl)imidazole
 
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** 5-aminoimidazole ribotide
 
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** AIR
 
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** 1-(5'-phosphoribosyl)-5-aminoimidazole
 
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** 5'-phosphoribosyl-5-aminoimidazole
 
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** phosphoribosylaminoimidazole
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
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* [[RXN0-742]]
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* [[RXN-14179]]
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* [[AIRCARBOXY-RXN]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
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* [[AIRS-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
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* CAS : 25635-88-5
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229244 44229244]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
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* HMDB : HMDB01235
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* CAS : 531-44-2
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* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03373 C03373]
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** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28843 28843]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
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* BIGG : air
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* METABOLIGHTS : MTBLC16065
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{{#set: smiles=C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)}}
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{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
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{{#set: inchi key=InChIKey=PDACUKOKVHBVHJ-XVFCMESISA-M}}
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{{#set: common name=scopolin}}
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{{#set: common name=5-amino-1-(5-phospho-β-D-ribosyl)imidazole}}
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{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
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{{#set: molecular weight=294.18   }}
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{{#set: molecular weight=354.313   }}
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{{#set: common name=5-aminoimidazole ribonucleotide|5-amino-1-(5-phospho-D-ribosyl)imidazole|5-aminoimidazole ribotide|AIR|1-(5'-phosphoribosyl)-5-aminoimidazole|5'-phosphoribosyl-5-aminoimidazole|phosphoribosylaminoimidazole}}
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{{#set: consumed by=RXN-14179}}
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{{#set: consumed by=RXN0-742|AIRCARBOXY-RXN}}
+
−
{{#set: produced by=AIRS-RXN}}
+

Latest revision as of 19:41, 21 March 2018

Metabolite SCOPOLIN

  • smiles:
    • COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
  • common name:
    • scopolin
  • inchi key:
    • InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
  • molecular weight:
    • 354.313
  • 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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