Difference between revisions of "CPD-14705"

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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=ExchangeSeed_IODINE-MOLECULE ExchangeSeed_IODINE-MOLECULE] == * direction: ** REVERSIBLE * Synonym(...")
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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=ExchangeSeed_IODINE-MOLECULE ExchangeSeed_IODINE-MOLECULE] ==
* 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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** 1.0 [[IODINE-MOLECULE]][C-BOUNDARY] '''<=>''' 1.0 [[IODINE-MOLECULE]][e]
== Reaction(s) of unknown directionality ==
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* With common name(s):
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** 1.0 I2[C-BOUNDARY] '''<=>''' 1.0 I2[e]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[manual]]
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** Source: [[manual-import_from_medium]]
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*** Comment: [[added to manage seeds from boundary to extracellular compartment]]
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB01412
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{{#set: direction=REVERSIBLE}}
* PUBCHEM:
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{{#set: in pathway=}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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{{#set: reconstruction category=manual}}
* HMDB : HMDB02825
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{{#set: reconstruction source=manual-import_from_medium}}
* LIGAND-CPD:
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{{#set: reconstruction comment=added to manage seeds from boundary to extracellular compartment}}
** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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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}}
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Revision as of 19:35, 18 March 2018

Reaction ExchangeSeed_IODINE-MOLECULE

  • direction:
    • REVERSIBLE
  • Synonym(s):

Reaction Formula

Genes associated with this reaction

Pathways

Reconstruction information

External links