Difference between revisions of "CPD-4127"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] == * smiles: ** CC(=O)CC([O-])=O * inchi key: ** InChIKey=WDJHAL...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4127 CPD-4127] == * smiles: ** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4127 CPD-4127] ==
 
* smiles:
 
* smiles:
** CC(=O)CC([O-])=O
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** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
* inchi key:
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** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
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* common name:
 
* common name:
** acetoacetate
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** isofucosterol
 +
* inchi key:
 +
** InChIKey=OSELKOCHBMDKEJ-WGMIZEQOSA-N
 
* molecular weight:
 
* molecular weight:
** 101.082    
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** 412.698    
 
* Synonym(s):
 
* Synonym(s):
** 3-ketobutyrate
 
** 3-oxobutanate
 
** oxobutyrate
 
** acetoacetic acid
 
** 3-oxobutyric acid
 
** 3-oxobutanoic acid
 
** diacetic acid
 
** β-ketobutyric acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACETOACETATE-DECARBOXYLASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[FAA]]
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* [[RXN-4210]]
* [[FUMARYLACETOACETASE-RXN]]
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* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXNI-2]]
 
* [[HBNOm]]
 
* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* UM-BBD-CPD : c0069
 
* CAS : 541-50-4
 
* METABOLIGHTS : MTBLC13705
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5281326 5281326]
* HMDB : HMDB00060
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* HMDB : HMDB02374
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164]
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** [http://www.genome.jp/dbget-bin/www_bget?C08821 C08821]
* CHEMSPIDER:
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{{#set: smiles=CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896]
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{{#set: common name=isofucosterol}}
* CHEBI:
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{{#set: inchi key=InChIKey=OSELKOCHBMDKEJ-WGMIZEQOSA-N}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705]
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{{#set: molecular weight=412.698    }}
* BIGG : acac
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{{#set: produced by=RXN-4210}}
{{#set: smiles=CC(=O)CC([O-])=O}}
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{{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}}
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{{#set: common name=acetoacetate}}
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{{#set: molecular weight=101.082    }}
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{{#set: common name=3-ketobutyrate|3-oxobutanate|oxobutyrate|acetoacetic acid|3-oxobutyric acid|3-oxobutanoic acid|diacetic acid|β-ketobutyric acid}}
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{{#set: consumed by=ACETOACETATE-DECARBOXYLASE-RXN}}
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{{#set: produced by=FAA|FUMARYLACETOACETASE-RXN|HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}
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{{#set: reversible reaction associated=RXNI-2|HBNOm|3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN}}
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Latest revision as of 21:06, 21 March 2018

Metabolite CPD-4127

  • smiles:
    • CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • isofucosterol
  • inchi key:
    • InChIKey=OSELKOCHBMDKEJ-WGMIZEQOSA-N
  • molecular weight:
    • 412.698
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.