Difference between revisions of "4-MALEYL-ACETOACETATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] == * smiles: ** CC(=CCCC(=CCCC(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] == * smiles: ** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
 
* smiles:
 
* smiles:
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
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** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
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** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
 
* common name:
 
* common name:
** 3-octaprenyl-4-hydroxybenzoate
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** 4-maleyl-acetoacetate
 
* molecular weight:
 
* molecular weight:
** 682.06    
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** 198.132    
 
* Synonym(s):
 
* Synonym(s):
  
 
== 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 ==
* [[4OHBENZOATE-OCTAPRENYLTRANSFER-RXN]]
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* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54685638 54685638]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
 +
* HMDB : HMDB02052
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* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.5256806.html 5256806]
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** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1617 1617]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
* BIGG : 46544
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* METABOLIGHTS : MTBLC17105
* LIGAND-CPD:
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{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
** [http://www.genome.jp/dbget-bin/www_bget?C05809 C05809]
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{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C}}
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{{#set: common name=4-maleyl-acetoacetate}}
{{#set: inchi key=InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M}}
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{{#set: molecular weight=198.132   }}
{{#set: common name=3-octaprenyl-4-hydroxybenzoate}}
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{{#set: produced by=HOMOGENTISATE-12-DIOXYGENASE-RXN}}
{{#set: molecular weight=682.06   }}
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{{#set: produced by=4OHBENZOATE-OCTAPRENYLTRANSFER-RXN}}
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Latest revision as of 21:00, 21 March 2018

Metabolite 4-MALEYL-ACETOACETATE

  • smiles:
    • C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
  • inchi key:
    • InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
  • common name:
    • 4-maleyl-acetoacetate
  • molecular weight:
    • 198.132
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O" cannot be used as a page name in this wiki.