Difference between revisions of "1-7-DIMETHYLXANTHINE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15123 RXN-15123] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) *...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15123 RXN-15123] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/3.5.99 EC-3.5.99]
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** paraxanthine
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* inchi key:
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** InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
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* molecular weight:
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** 180.166   
 
* Synonym(s):
 
* Synonym(s):
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** 1,7-dimethylxanthine
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN-11520]]
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** 1 [[WATER]][c] '''+''' 1 [[CPD-16013]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[2-OXOBUTANOATE]][c] '''+''' 1 [[AMMONIUM]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H2O[c] '''+''' 1 2-iminobutanoate[c] '''+''' 1 H+[c] '''=>''' 1 2-oxobutanoate[c] '''+''' 1 ammonium[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[HOMOCYSDEGR-PWY]], L-cysteine biosynthesis III (from L-homocysteine): [http://metacyc.org/META/NEW-IMAGE?object=HOMOCYSDEGR-PWY HOMOCYSDEGR-PWY]
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** '''4''' reactions found over '''4''' reactions in the full pathway
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* [[ILEUSYN-PWY]], L-isoleucine biosynthesis I (from threonine): [http://metacyc.org/META/NEW-IMAGE?object=ILEUSYN-PWY ILEUSYN-PWY]
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** '''7''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-701]], L-methionine degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-701 PWY-701]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-5437]], L-threonine degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5437 PWY-5437]
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** '''3''' reactions found over '''6''' reactions in the full pathway
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* [[PWY-5826]], hypoglycin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5826 PWY-5826]
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** '''4''' reactions found over '''14''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: ec number=EC-3.5.99}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4687 4687]
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{{#set: in pathway=HOMOCYSDEGR-PWY|ILEUSYN-PWY|PWY-701|PWY-5437|PWY-5826}}
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* HMDB : HMDB01860
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{{#set: reconstruction category=annotation}}
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* LIGAND-CPD:
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{{#set: reconstruction source=annotation-in-silico_annotation|annotation-experimental_annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747]
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{{#set: reconstruction tool=pathwaytools}}
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4525.html 4525]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25858 25858]
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* METABOLIGHTS : MTBLC25858
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{{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}}
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{{#set: common name=paraxanthine}}
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{{#set: inchi key=InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N}}
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{{#set: molecular weight=180.166    }}
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{{#set: common name=1,7-dimethylxanthine}}
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{{#set: consumed by=RXN-11520}}

Latest revision as of 19:59, 21 March 2018

Metabolite 1-7-DIMETHYLXANTHINE

  • smiles:
    • CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
  • common name:
    • paraxanthine
  • inchi key:
    • InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
  • molecular weight:
    • 180.166
  • Synonym(s):
    • 1,7-dimethylxanthine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB01860
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC25858




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