Difference between revisions of "RXN0-5254"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHINE XANTHINE] ==
 
* smiles:
 
* smiles:
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
+
** C12(NC(=O)NC(C=1N=CN2)=O)
 
* inchi key:
 
* inchi key:
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
+
** InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
 
* common name:
 
* common name:
** neolinustatin
+
** xanthine
 
* molecular weight:
 
* molecular weight:
** 423.416    
+
** 152.112    
 
* Synonym(s):
 
* Synonym(s):
** butanenitrile
+
** 2,6-dioxopurine
** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13603]]
+
* [[XANTHINE-OXIDASE-RXN]]
 +
* [[XANPRIBOSYLTRAN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7682]]
 +
* [[RXN0-363]]
 +
* [[XANTHOSINEPHOSPHORY-RXN]]
 +
* [[GUANINE-DEAMINASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN0-901]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 69-89-6
 +
* METABOLIGHTS : MTBLC17712
 +
* DRUGBANK : DB02134
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1188 1188]
 +
* HMDB : HMDB00292
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
+
** [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=7506 7506]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17712 17712]
* PUBCHEM:
+
* BIGG : xan
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
+
{{#set: smiles=C12(NC(=O)NC(C=1N=CN2)=O)}}
* HMDB : HMDB38482
+
{{#set: inchi key=InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N}}
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
+
{{#set: common name=xanthine}}
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
+
{{#set: molecular weight=152.112   }}
{{#set: common name=neolinustatin}}
+
{{#set: common name=2,6-dioxopurine}}
{{#set: molecular weight=423.416   }}
+
{{#set: consumed by=XANTHINE-OXIDASE-RXN|XANPRIBOSYLTRAN-RXN}}
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
+
{{#set: produced by=RXN-7682|RXN0-363|XANTHOSINEPHOSPHORY-RXN|GUANINE-DEAMINASE-RXN}}
{{#set: consumed by=RXN-13603}}
+
{{#set: consumed or produced by=RXN0-901}}

Revision as of 17:34, 10 January 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
  • METABOLIGHTS : MTBLC17712
  • DRUGBANK : DB02134
  • PUBCHEM:
  • HMDB : HMDB00292
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : xan