Difference between revisions of "XANTHINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-520 CPD-520] == * smiles: ** C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3))) * in...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHINE XANTHINE] == * smiles: ** C12(NC(=O)NC(C=1N=CN2)=O) * inchi key: ** InChIKey=LRFVTYWOQ...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-520 CPD-520] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHINE XANTHINE] ==
 
* smiles:
 
* smiles:
** C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))
+
** C12(NC(=O)NC(C=1N=CN2)=O)
 
* inchi key:
 
* inchi key:
** InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-M
+
** InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
 
* common name:
 
* common name:
** quercetin
+
** xanthine
 
* molecular weight:
 
* molecular weight:
** 301.232    
+
** 152.112    
 
* Synonym(s):
 
* Synonym(s):
** 3,5,7,3',4'-pentahydroxyflavone
+
** 2,6-dioxopurine
** 3,5,7,3',4'-pentahydroflavone
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN1F-462]]
+
* [[XANTHINE-OXIDASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-527]]
+
* [[RXN-7682]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN0-901]]
 
== External links  ==
 
== External links  ==
* NCI:
+
* CAS : 69-89-6
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9219 9219]
+
* BIGG : 34825
* CAS : 117-39-5
+
* DRUGBANK : DB02134
* Wikipedia : Quercetin
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46906036 46906036]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1188 1188]
* HMDB : HMDB05794
+
* HMDB : HMDB00292
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00389 C00389]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00385 C00385]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.1151.html 1151]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57694 57694]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17712 17712]
{{#set: smiles=C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))}}
+
* METABOLIGHTS : MTBLC17712
{{#set: inchi key=InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-M}}
+
{{#set: smiles=C12(NC(=O)NC(C=1N=CN2)=O)}}
{{#set: common name=quercetin}}
+
{{#set: inchi key=InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N}}
{{#set: molecular weight=301.232   }}
+
{{#set: common name=xanthine}}
{{#set: common name=3,5,7,3',4'-pentahydroxyflavone|3,5,7,3',4'-pentahydroflavone}}
+
{{#set: molecular weight=152.112   }}
{{#set: consumed by=RXN1F-462}}
+
{{#set: common name=2,6-dioxopurine}}
{{#set: produced by=RXN-527}}
+
{{#set: consumed by=XANTHINE-OXIDASE-RXN}}
 +
{{#set: produced by=RXN-7682}}
 +
{{#set: reversible reaction associated=RXN0-901}}

Latest revision as of 19:58, 21 March 2018

Metabolite XANTHINE

  • smiles:
    • C12(NC(=O)NC(C=1N=CN2)=O)
  • inchi key:
    • InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
  • common name:
    • xanthine
  • molecular weight:
    • 152.112
  • Synonym(s):
    • 2,6-dioxopurine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 69-89-6
  • BIGG : 34825
  • DRUGBANK : DB02134
  • PUBCHEM:
  • HMDB : HMDB00292
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17712