Difference between revisions of "CPD-13040"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=INORGPYROPHOSPHAT-RXN INORGPYROPHOSPHAT-RXN] == * direction: ** LEFT-TO-RIGHT * 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 * inchi key: ** InChIKey=AWHAUPZH...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=INORGPYROPHOSPHAT-RXN INORGPYROPHOSPHAT-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CCCC(OCC(OC(CCC)=O)CO)=O
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/3.6.1.1 EC-3.6.1.1]
+
** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
 +
* common name:
 +
** 1,2-dibutyrin
 +
* molecular weight:
 +
** 232.276   
 
* Synonym(s):
 
* Synonym(s):
 +
** glycerol 1,2-dibutanoate
 +
** β-dibutyrin
 +
** butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
 +
** dibutyrylglycerol
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[WATER]][c] '''+''' 1 [[PPI]][c] '''=>''' 1 [[PROTON]][c] '''+''' 2 [[Pi]][c]
+
* [[RXN-12086]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 H2O[c] '''+''' 1 diphosphate[c] '''=>''' 1 H+[c] '''+''' 2 phosphate[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00008749001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
* [[CHC_T00006490001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
** [[pantograph]]-[[a.taliana]]
+
−
== Pathways  ==
+
−
* [[PWY-7805]], aminomethylphosphonate degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7805 PWY-7805]
+
−
** '''2''' reactions found over '''8''' reactions in the full pathway
+
−
* [[PWY-7807]], glyphosate degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7807 PWY-7807]
+
−
** '''2''' reactions found over '''7''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[galdieria.sulphuraria]]
+
−
*** [[a.taliana]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* CAS : 24814-35-5
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=24576 24576]
+
* PUBCHEM:
−
* LIGAND-RXN:
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
−
** [http://www.genome.jp/dbget-bin/www_bget?R00004 R00004]
+
* CHEMSPIDER:
−
* UNIPROT:
+
** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
−
** [http://www.uniprot.org/uniprot/P21616 P21616]
+
* CHEBI:
−
** [http://www.uniprot.org/uniprot/P31414 P31414]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
−
** [http://www.uniprot.org/uniprot/P28239 P28239]
+
{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
−
** [http://www.uniprot.org/uniprot/P37980 P37980]
+
{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
−
** [http://www.uniprot.org/uniprot/P84491 P84491]
+
{{#set: common name=1,2-dibutyrin}}
−
** [http://www.uniprot.org/uniprot/O59570 O59570]
+
{{#set: molecular weight=232.276    }}
−
** [http://www.uniprot.org/uniprot/Q9S941 Q9S941]
+
{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}}
−
** [http://www.uniprot.org/uniprot/Q9S939 Q9S939]
+
{{#set: produced by=RXN-12086}}
−
** [http://www.uniprot.org/uniprot/Q9S936 Q9S936]
+
−
** [http://www.uniprot.org/uniprot/O26363 O26363]
+
−
** [http://www.uniprot.org/uniprot/Q9S940 Q9S940]
+
−
** [http://www.uniprot.org/uniprot/Q9S938 Q9S938]
+
−
** [http://www.uniprot.org/uniprot/Q9S937 Q9S937]
+
−
** [http://www.uniprot.org/uniprot/Q9PHM9 Q9PHM9]
+
−
** [http://www.uniprot.org/uniprot/Q9UY24 Q9UY24]
+
−
** [http://www.uniprot.org/uniprot/Q9JVG3 Q9JVG3]
+
−
** [http://www.uniprot.org/uniprot/P47593 P47593]
+
−
** [http://www.uniprot.org/uniprot/Q974Y8 Q974Y8]
+
−
** [http://www.uniprot.org/uniprot/O05724 O05724]
+
−
** [http://www.uniprot.org/uniprot/P19514 P19514]
+
−
** [http://www.uniprot.org/uniprot/P00817 P00817]
+
−
** [http://www.uniprot.org/uniprot/P0A7A9 P0A7A9]
+
−
** [http://www.uniprot.org/uniprot/P13998 P13998]
+
−
** [http://www.uniprot.org/uniprot/P19117 P19117]
+
−
** [http://www.uniprot.org/uniprot/P21216 P21216]
+
−
** [http://www.uniprot.org/uniprot/Q9R5T3 Q9R5T3]
+
−
** [http://www.uniprot.org/uniprot/P37981 P37981]
+
−
** [http://www.uniprot.org/uniprot/Q43801 Q43801]
+
−
** [http://www.uniprot.org/uniprot/Q43798 Q43798]
+
−
** [http://www.uniprot.org/uniprot/Q43797 Q43797]
+
−
** [http://www.uniprot.org/uniprot/P50308 P50308]
+
−
** [http://www.uniprot.org/uniprot/Q43796 Q43796]
+
−
** [http://www.uniprot.org/uniprot/P93409 P93409]
+
−
** [http://www.uniprot.org/uniprot/Q8H616 Q8H616]
+
−
** [http://www.uniprot.org/uniprot/P93410 P93410]
+
−
** [http://www.uniprot.org/uniprot/P75250 P75250]
+
−
** [http://www.uniprot.org/uniprot/Q49071 Q49071]
+
−
** [http://www.uniprot.org/uniprot/O48556 O48556]
+
−
** [http://www.uniprot.org/uniprot/O22537 O22537]
+
−
** [http://www.uniprot.org/uniprot/O82793 O82793]
+
−
** [http://www.uniprot.org/uniprot/O23979 O23979]
+
−
** [http://www.uniprot.org/uniprot/O49949 O49949]
+
−
** [http://www.uniprot.org/uniprot/Q43187 Q43187]
+
−
** [http://www.uniprot.org/uniprot/O22124 O22124]
+
−
** [http://www.uniprot.org/uniprot/Q42650 Q42650]
+
−
** [http://www.uniprot.org/uniprot/Q42651 Q42651]
+
−
** [http://www.uniprot.org/uniprot/O65151 O65151]
+
−
{{#set: direction=LEFT-TO-RIGHT}}
+
−
{{#set: ec number=EC-3.6.1.1}}
+
−
{{#set: gene associated=CHC_T00008749001_1|CHC_T00006490001_1}}
+
−
{{#set: in pathway=PWY-7805|PWY-7807}}
+
−
{{#set: reconstruction category=orthology}}
+
−
{{#set: reconstruction tool=pantograph}}
+
−
{{#set: reconstruction source=galdieria.sulphuraria|a.taliana}}
+

Revision as of 17:29, 23 May 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/ccrgem/index.php?title=CPD-13040&oldid=17243"