Difference between revisions of "3-7-DIMETHYLXANTHINE"

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(Created page with "Category:Pathway == Pathway [http://metacyc.org/META/NEW-IMAGE?object=PWY-561 PWY-561] == * taxonomic range: ** [http://metacyc.org/META/NEW-IMAGE?object=TAX-33090 TAX-330...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) *...")
 
(One intermediate revision by the same user not shown)
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[[Category:Pathway]]
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[[Category:Metabolite]]
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== Pathway [http://metacyc.org/META/NEW-IMAGE?object=PWY-561 PWY-561] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
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* taxonomic range:
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* smiles:
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** [http://metacyc.org/META/NEW-IMAGE?object=TAX-33090 TAX-33090]
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** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
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* inchi key:
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** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
 
* common name:
 
* common name:
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** superpathway of glyoxylate cycle and fatty acid degradation
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** theobromine
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* molecular weight:
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** 180.166   
 
* Synonym(s):
 
* Synonym(s):
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** 3,7-dimethylxanthine
  
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== Reaction(s) found ==
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== Reaction(s) known to consume the compound ==
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'''6''' reactions found over '''8''' reactions in the full pathway
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* [[RXN-11519]]
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* [[FUMHYDR-RXN]]
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== Reaction(s) known to produce the compound ==
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** 2 associated gene(s):
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== Reaction(s) of unknown directionality ==
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*** [[Ec-23_003460]]
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*** [[Ec-25_001360]]
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** 2 reconstruction source(s) associated:
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*** [[annotation-esiliculosus_genome]]
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*** [[orthology-aragem]]
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* [[GLYOXYLATE-BYPASS]]
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** 0 associated gene:
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* [[MALATE-DEH-RXN]]
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** 2 associated gene(s):
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*** [[Ec-10_006200]]
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*** [[Ec-02_003100]]
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** 2 reconstruction source(s) associated:
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*** [[annotation-esiliculosus_genome]]
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*** [[orthology-aragem]]
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* [[PEPCARBOXYKIN-RXN]]
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** 1 associated gene(s):
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*** [[Ec-19_002930]]
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** 2 reconstruction source(s) associated:
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*** [[annotation-esiliculosus_genome]]
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*** [[orthology-aragem]]
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* [[PWY-5136]]
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** 0 associated gene:
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* [[SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN]]
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** 6 associated gene(s):
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*** [[Ec-07_002870]]
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*** [[Ec-07_007310]]
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*** [[Ec-11_000360]]
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*** [[Ec-21_003470]]
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*** [[Ec-05_003640]]
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*** [[Ec-27_006560]]
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** 1 reconstruction source(s) associated:
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*** [[annotation-esiliculosus_genome]]
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== Reaction(s) not found ==
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== External links  ==
 
== External links  ==
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* METACYC:
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* DRUGBANK : DB01412
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=PWY-561 PWY-561]
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* PUBCHEM:
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{{#set: taxonomic range=TAX-33090}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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{{#set: common name=superpathway of glyoxylate cycle and fatty acid degradation}}
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* HMDB : HMDB02825
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{{#set: reaction found=6}}
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* LIGAND-CPD:
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{{#set: total reaction=8}}
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** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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{{#set: completion rate=75.0}}
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946]
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* METABOLIGHTS : MTBLC28946
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{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}}
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{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}}
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{{#set: common name=theobromine}}
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{{#set: molecular weight=180.166    }}
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{{#set: common name=3,7-dimethylxanthine}}
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{{#set: consumed by=RXN-11519}}

Latest revision as of 19:33, 21 March 2018

Metabolite 3-7-DIMETHYLXANTHINE

  • smiles:
    • CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
  • inchi key:
    • InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
  • common name:
    • theobromine
  • molecular weight:
    • 180.166
  • Synonym(s):
    • 3,7-dimethylxanthine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB01412
  • PUBCHEM:
  • HMDB : HMDB02825
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC28946




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