Difference between revisions of "CPD-12483"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1G-499 RXN1G-499] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-oxo-lignoceroyl-[acyl-car...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12483 CPD-12483] == * smiles: ** CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2)) * common name: ** 1,7-d...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1G-499 RXN1G-499] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12483 CPD-12483] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2))
 
* common name:
 
* common name:
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** 3-oxo-lignoceroyl-[acyl-carrier protein] synthase
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** 1,7-dimethylurate
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** 3-oxoacyl-synthase
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* inchi key:
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* ec number:
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** InChIKey=NOFNCLGCUJJPKU-UHFFFAOYSA-N
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** [http://enzyme.expasy.org/EC/2.3.1.41 EC-2.3.1.41]
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* molecular weight:
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** 196.165   
 
* Synonym(s):
 
* Synonym(s):
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** 1,7-dimethyluric acid
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[MALONYL-COA]][c] '''+''' 1 [[Behenoyl-ACPs]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[3-oxo-lignoceroyl-ACPs]][c]
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* [[RXN-11520]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 malonyl-CoA[c] '''+''' 1 a behenoyl-[acp][c] '''+''' 1 H+[c] '''=>''' 1 CO2[c] '''+''' 1 coenzyme A[c] '''+''' 1 a 3-oxo-lignoceroyl-[acp][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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* [[Tiso_gene_19302]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_14485]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_15991]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_5939]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWYG-321]], mycolate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWYG-321 PWYG-321]
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** '''86''' reactions found over '''182''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-in-silico_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: common name=3-oxo-lignoceroyl-[acyl-carrier protein] synthase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91611 91611]
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{{#set: common name=3-oxoacyl-synthase}}
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* HMDB : HMDB11103
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{{#set: ec number=EC-2.3.1.41}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_19302|Tiso_gene_14485|Tiso_gene_15991|Tiso_gene_5939}}
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** [http://www.genome.jp/dbget-bin/www_bget?C16356 C16356]
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{{#set: in pathway=PWYG-321}}
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* CHEMSPIDER:
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{{#set: reconstruction category=orthology|annotation}}
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** [http://www.chemspider.com/Chemical-Structure.82720.html 82720]
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{{#set: reconstruction source=annotation-experimental_annotation|annotation-in-silico_annotation|orthology-esiliculosus}}
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* CHEBI:
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68449 68449]
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* METABOLIGHTS : MTBLC68449
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{{#set: smiles=CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2))}}
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{{#set: common name=1,7-dimethylurate}}
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{{#set: inchi key=InChIKey=NOFNCLGCUJJPKU-UHFFFAOYSA-N}}
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{{#set: molecular weight=196.165    }}
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{{#set: common name=1,7-dimethyluric acid}}
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{{#set: produced by=RXN-11520}}

Latest revision as of 20:33, 21 March 2018

Metabolite CPD-12483

  • smiles:
    • CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2))
  • common name:
    • 1,7-dimethylurate
  • inchi key:
    • InChIKey=NOFNCLGCUJJPKU-UHFFFAOYSA-N
  • molecular weight:
    • 196.165
  • Synonym(s):
    • 1,7-dimethyluric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB11103
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC68449




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