Difference between revisions of "RXN-17895"

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(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)) *...")
 
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17895 RXN-17895] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula == * With ide...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
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[[Category:Reaction]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17895 RXN-17895] ==
* smiles:
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* direction:
** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
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** REVERSIBLE
* inchi key:
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** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
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* common name:
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** theobromine
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* molecular weight:
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** 180.166   
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* Synonym(s):
 
* Synonym(s):
** 3,7-dimethylxanthine
 
  
== Reaction(s) known to consume the compound ==
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== Reaction Formula ==
* [[RXN-11519]]
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* With identifiers:
== Reaction(s) known to produce the compound ==
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** 1 [[CPD-18773]][c] '''<=>''' 1 [[CPD-19220]][c]
== Reaction(s) of unknown directionality ==
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* With common name(s):
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** 1 (R)-demethyl-4-deoxygadusol[c] '''<=>''' 1 (S)-demethyl-4-deoxygadusol[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7751]], shinorine biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7751 PWY-7751]
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** '''6''' reactions found over '''8''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB01412
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{{#set: direction=REVERSIBLE}}
* PUBCHEM:
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{{#set: in pathway=PWY-7751}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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{{#set: reconstruction category=gap-filling}}
* HMDB : HMDB02825
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
* LIGAND-CPD:
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{{#set: reconstruction tool=meneco}}
** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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{{#set: reconstruction comment=added for gapfilling}}
* 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}}
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Latest revision as of 16:08, 23 May 2018

Reaction RXN-17895

  • direction:
    • REVERSIBLE
  • Synonym(s):

Reaction Formula

  • With identifiers:
  • With common name(s):
    • 1 (R)-demethyl-4-deoxygadusol[c] <=> 1 (S)-demethyl-4-deoxygadusol[c]

Genes associated with this reaction

Pathways

  • PWY-7751, shinorine biosynthesis: PWY-7751
    • 6 reactions found over 8 reactions in the full pathway

Reconstruction information

External links