Difference between revisions of "CPD-13040"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=BETAGALACTOSID-RXN BETAGALACTOSID-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** β-ga...")
(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 *...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=BETAGALACTOSID-RXN BETAGALACTOSID-RXN] ==
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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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** β-galactosidase
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** 1,2-dibutyrin
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** glycoside_hydrolase
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* inchi key:
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** polyprotein
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** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/3.2.1.108 EC-3.2.1.108]
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** 232.276   
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** [http://enzyme.expasy.org/EC/3.2.1.23 EC-3.2.1.23]
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* 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 [[WATER]][c] '''+''' 1 [[CPD-15972]][c] '''=>''' 1 [[Glucopyranose]][c] '''+''' 1 [[GALACTOSE]][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 H2O[c] '''+''' 1 lactose[c] '''=>''' 1 D-glucopyranose[c] '''+''' 1 β-D-galactose[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_12839]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_1398]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[orthology-esiliculosus]]
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* Gene: [[Tiso_gene_17558]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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== Pathways  ==
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* [[BGALACT-PWY]], lactose degradation III: [http://metacyc.org/META/NEW-IMAGE?object=BGALACT-PWY BGALACT-PWY]
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** '''1''' reactions found over '''1''' 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-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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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=10076 10076]
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=28659 28659]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
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* LIGAND-RXN:
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* CHEMSPIDER:
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** [http://www.genome.jp/dbget-bin/www_bget?R01100 R01100]
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** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
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* UNIPROT:
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q29522 Q29522]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
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** [http://www.uniprot.org/uniprot/Q29521 Q29521]
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{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
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** [http://www.uniprot.org/uniprot/Q29519 Q29519]
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{{#set: common name=1,2-dibutyrin}}
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** [http://www.uniprot.org/uniprot/Q29518 Q29518]
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{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
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** [http://www.uniprot.org/uniprot/P09849 P09849]
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{{#set: molecular weight=232.276    }}
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** [http://www.uniprot.org/uniprot/P09848 P09848]
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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: direction=LEFT-TO-RIGHT}}
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{{#set: produced by=RXN-12086}}
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{{#set: common name=β-galactosidase}}
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{{#set: common name=glycoside_hydrolase}}
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{{#set: common name=polyprotein}}
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{{#set: ec number=EC-3.2.1.108}}
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{{#set: ec number=EC-3.2.1.23}}
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{{#set: gene associated=Tiso_gene_12839|Tiso_gene_1398|Tiso_gene_17558}}
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{{#set: in pathway=BGALACT-PWY}}
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{{#set: reconstruction category=orthology|annotation}}
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{{#set: reconstruction source=annotation-in-silico_annotation|orthology-esiliculosus}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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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




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