Difference between revisions of "Tiso gene 15721"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=A-3-OXO-ACID A-3-OXO-ACID] == * smiles: ** C([R])C(=O)CC(=O)[O-] * common name: ** a 3-oxo acid...")
(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:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=A-3-OXO-ACID A-3-OXO-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] ==
 
* smiles:
 
* smiles:
−
** C([R])C(=O)CC(=O)[O-]
+
** CCCC(OCC(OC(CCC)=O)CO)=O
 
* common name:
 
* common name:
−
** a 3-oxo acid
+
** 1,2-dibutyrin
 +
* inchi key:
 +
** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
 +
* molecular weight:
 +
** 232.276   
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxy acid
+
** glycerol 1,2-dibutanoate
−
** 3-oxygen acid
+
** β-dibutyrin
 +
** butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
 +
** dibutyrylglycerol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12086]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3-OXOACID-COA-TRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
+
* CAS : 24814-35-5
−
** [http://www.genome.jp/dbget-bin/www_bget?C01656 C01656]
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47881 47881]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
−
{{#set: smiles=C([R])C(=O)CC(=O)[O-]}}
+
{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
−
{{#set: common name=a 3-oxo acid}}
+
{{#set: common name=1,2-dibutyrin}}
−
{{#set: common name=3-oxy acid|3-oxygen acid}}
+
{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
−
{{#set: reversible reaction associated=3-OXOACID-COA-TRANSFERASE-RXN}}
+
{{#set: molecular weight=232.276    }}
 +
{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}}
 +
{{#set: produced by=RXN-12086}}

Revision as of 16:45, 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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