Difference between revisions of "CPD-13040"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-10847 RXN-10847] == * direction: ** LEFT-TO-RIGHT * common name: ** ORF * ec number: ** [http:/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] == * smiles: ** CCCC(OCC(OC(CCC)=O)CO)=O * common name: ** 1,2-dibutyrin *...")
 
(3 intermediate revisions by the same user not shown)
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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-10847 RXN-10847] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCCC(OCC(OC(CCC)=O)CO)=O
 
* common name:
 
* common name:
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** ORF
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** 1,2-dibutyrin
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.1.1.164 EC-2.1.1.164]
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** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
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* molecular weight:
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** 232.276   
 
* Synonym(s):
 
* Synonym(s):
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** glycerol 1,2-dibutanoate
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** β-dibutyrin
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** butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
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** dibutyrylglycerol
  
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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 [[S-ADENOSYLMETHIONINE]][c] '''+''' 1 [[CPD-11756]][c] '''=>''' 1 [[ADENOSYL-HOMO-CYS]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD-11752]][c]
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* [[RXN-12086]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 S-adenosyl-L-methionine[c] '''+''' 1 4'-O-demethylrebeccamycin[c] '''=>''' 1 S-adenosyl-L-homocysteine[c] '''+''' 1 H+[c] '''+''' 1 rebeccamycin[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_7444]]
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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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* [[PWY-6324]], rebeccamycin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6324 PWY-6324]
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** '''1''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 24814-35-5
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=27353 27353]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
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** [http://www.genome.jp/dbget-bin/www_bget?R09569 R09569]
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* CHEMSPIDER:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
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{{#set: common name=ORF}}
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* CHEBI:
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{{#set: ec number=EC-2.1.1.164}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
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{{#set: gene associated=Tiso_gene_7444}}
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{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
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{{#set: in pathway=PWY-6324}}
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{{#set: common name=1,2-dibutyrin}}
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{{#set: reconstruction category=annotation}}
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{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: molecular weight=232.276    }}
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}}
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{{#set: produced by=RXN-12086}}

Latest revision as of 20:03, 21 March 2018

Metabolite CPD-13040

  • smiles:
    • CCCC(OCC(OC(CCC)=O)CO)=O
  • common name:
    • 1,2-dibutyrin
  • inchi key:
    • InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
  • molecular weight:
    • 232.276
  • Synonym(s):
    • glycerol 1,2-dibutanoate
    • β-dibutyrin
    • butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
    • dibutyrylglycerol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-13040&oldid=45510"