Difference between revisions of "3-7-DIMETHYLXANTHINE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-17798 RXN-17798] == * direction: ** LEFT-TO-RIGHT * common name: ** hydroxyacyl-coenzyme_a_dehy...")
(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)) *...")
 
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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-17798 RXN-17798] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-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(NC(N(C)1)=O)=O)2))
 
* common name:
 
* common name:
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** hydroxyacyl-coenzyme_a_dehydrogenase_3-ketoacyl-coenzyme_a_thiolase_enoyl-coenzyme_a_hydratasealpha_subunit
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** theobromine
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** 3-hydroxyacyl-_dehydrogenase
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* inchi key:
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** hydroxyacyl-coenzyme_a_mitochondrial
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** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/1.1.1.35 EC-1.1.1.35]
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** 180.166   
 
* Synonym(s):
 
* Synonym(s):
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** 3,7-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-11519]]
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** 1 [[CPD-19151]][c] '''+''' 1 [[NAD]][c] '''=>''' 1 [[CPD-19153]][c] '''+''' 1 [[NADH]][c] '''+''' 1 [[PROTON]][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 (S)-3-hydroxy-(5Z)-dodecenoyl-CoA[c] '''+''' 1 NAD+[c] '''=>''' 1 3-oxo-(5Z)-dodecenoyl-CoA[c] '''+''' 1 NADH[c] '''+''' 1 H+[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* Gene: [[Tiso_gene_14262]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[annotation-experimental_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_14026]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[annotation-experimental_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_18838]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_18839]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_5857]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[annotation-experimental_annotation]]
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*** Assignment: EC-NUMBER
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== Pathways  ==
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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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* DRUGBANK : DB01412
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{{#set: common name=hydroxyacyl-coenzyme_a_dehydrogenase_3-ketoacyl-coenzyme_a_thiolase_enoyl-coenzyme_a_hydratasealpha_subunit}}
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* PUBCHEM:
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{{#set: common name=3-hydroxyacyl-_dehydrogenase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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{{#set: common name=hydroxyacyl-coenzyme_a_mitochondrial}}
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* HMDB : HMDB02825
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{{#set: ec number=EC-1.1.1.35}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_14262|Tiso_gene_14026|Tiso_gene_18838|Tiso_gene_18839|Tiso_gene_5857}}
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** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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{{#set: in pathway=}}
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* CHEMSPIDER:
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{{#set: reconstruction category=annotation}}
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** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
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{{#set: reconstruction source=annotation-in-silico_annotation|annotation-experimental_annotation}}
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* CHEBI:
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{{#set: reconstruction tool=pathwaytools}}
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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: common name=theobromine}}
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{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}}
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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 20:54, 21 March 2018

Metabolite 3-7-DIMETHYLXANTHINE

  • smiles:
    • CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
  • common name:
    • theobromine
  • inchi key:
    • InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
  • 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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