Difference between revisions of "CPD-6993"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=DUTP-PYROP-RXN DUTP-PYROP-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** inosine_triphosph...")
 
(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 * inchi key: ** InChIKey=AWHAUPZH...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=DUTP-PYROP-RXN DUTP-PYROP-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
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* inchi key:
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** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
 
* common name:
 
* common name:
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** inosine_triphosphate
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** 1,2-dibutyrin
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/3.6.1.23 EC-3.6.1.23]
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** 232.276   
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** [http://enzyme.expasy.org/EC/3.6.1.9 EC-3.6.1.9]
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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 [[DUTP]][c] '''=>''' 1 [[PPI]][c] '''+''' 1 [[DUMP]][c] '''+''' 1 [[PROTON]][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 dUTP[c] '''=>''' 1 diphosphate[c] '''+''' 1 dUMP[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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* [[Tiso_gene_18793]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** [[pantograph]]-[[athaliana]]
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* [[Tiso_gene_18792]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-7206]], pyrimidine deoxyribonucleotides dephosphorylation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7206 PWY-7206]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-7184]], pyrimidine deoxyribonucleotides de novo biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7184 PWY-7184]
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** '''9''' reactions found over '''9''' reactions in the full pathway
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* [[PWY-7187]], pyrimidine deoxyribonucleotides de novo biosynthesis II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7187 PWY-7187]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-6545]], pyrimidine deoxyribonucleotides de novo biosynthesis III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6545 PWY-6545]
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** '''8''' reactions found over '''9''' reactions in the full pathway
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* [[PWY0-166]], superpathway of pyrimidine deoxyribonucleotides de novo biosynthesis (E. coli): [http://metacyc.org/META/NEW-IMAGE?object=PWY0-166 PWY0-166]
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** '''12''' reactions found over '''17''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[athaliana]]
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* [[manual]]:
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** [[primary_network]]
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* [[annotation]]:
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** [[pathwaytools]]:
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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=10248 10248]
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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?R02100 R02100]
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* CHEMSPIDER:
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* UNIPROT:
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** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
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** [http://www.uniprot.org/uniprot/Q89932 Q89932]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P33316 P33316]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
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** [http://www.uniprot.org/uniprot/O15923 O15923]
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{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
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** [http://www.uniprot.org/uniprot/Q9PMK9 Q9PMK9]
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{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
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** [http://www.uniprot.org/uniprot/Q9Z9C2 Q9Z9C2]
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{{#set: common name=1,2-dibutyrin}}
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** [http://www.uniprot.org/uniprot/Q9JUW1 Q9JUW1]
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{{#set: molecular weight=232.276    }}
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** [http://www.uniprot.org/uniprot/P43792 P43792]
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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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** [http://www.uniprot.org/uniprot/P32518 P32518]
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{{#set: produced by=RXN-12086}}
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** [http://www.uniprot.org/uniprot/P68635 P68635]
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** [http://www.uniprot.org/uniprot/P68634 P68634]
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** [http://www.uniprot.org/uniprot/Q76RE7 Q76RE7]
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** [http://www.uniprot.org/uniprot/P03195 P03195]
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** [http://www.uniprot.org/uniprot/Q89662 Q89662]
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** [http://www.uniprot.org/uniprot/Q00030 Q00030]
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** [http://www.uniprot.org/uniprot/P33317 P33317]
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** [http://www.uniprot.org/uniprot/Q45920 Q45920]
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** [http://www.uniprot.org/uniprot/P43058 P43058]
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** [http://www.uniprot.org/uniprot/O80091 O80091]
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** [http://www.uniprot.org/uniprot/O36404 O36404]
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** [http://www.uniprot.org/uniprot/O41033 O41033]
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** [http://www.uniprot.org/uniprot/Q9YML1 Q9YML1]
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** [http://www.uniprot.org/uniprot/O39251 O39251]
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** [http://www.uniprot.org/uniprot/O01934 O01934]
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** [http://www.uniprot.org/uniprot/P10234 P10234]
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** [http://www.uniprot.org/uniprot/P06968 P06968]
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** [http://www.uniprot.org/uniprot/P09254 P09254]
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** [http://www.uniprot.org/uniprot/P28892 P28892]
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** [http://www.uniprot.org/uniprot/P28893 P28893]
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: common name=inosine_triphosphate}}
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{{#set: ec number=EC-3.6.1.23}}
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{{#set: ec number=EC-3.6.1.9}}
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{{#set: gene associated=Tiso_gene_18793|Tiso_gene_18792}}
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{{#set: in pathway=PWY-7206|PWY-7184|PWY-7187|PWY-6545|PWY0-166}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=athaliana}}
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{{#set: reconstruction category=manual}}
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{{#set: reconstruction source=primary_network}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=in-silico_annotation}}
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Revision as of 17:02, 10 January 2018

Metabolite CPD-13040

  • smiles:
    • CCCC(OCC(OC(CCC)=O)CO)=O
  • inchi key:
    • InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
  • common name:
    • 1,2-dibutyrin
  • 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-6993&oldid=15786"