Difference between revisions of "CPD-9864"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7030 CPD-7030] == * smiles: ** CC(C)C(CC([O-])=O)=O * common name: ** β-ketoisocaproat...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9864 CPD-9864] == * smiles: ** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CC...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7030 CPD-7030] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9864 CPD-9864] ==
 
* smiles:
 
* smiles:
** CC(C)C(CC([O-])=O)=O
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** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C)C
* common name:
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** β-ketoisocaproate
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* inchi key:
 
* inchi key:
** InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-M
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** InChIKey=CMPNJZREBHCPHN-LTNIBBDRSA-M
 +
* common name:
 +
** 3-decaprenyl-4-hydroxybenzoate
 
* molecular weight:
 
* molecular weight:
** 129.135    
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** 818.297    
 
* Synonym(s):
 
* Synonym(s):
** 4-methyl-3-oxopentanoate
 
** 3-oxo-4-methylpentanoate
 
** β-oxo-4-methylcaproate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7691]]
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* [[RXN-9279]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7690]]
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* [[RXN-9230]]
 
== 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=22019185 22019185]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54746224 54746224]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.10755343.html 10755343]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62222 62222]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84503 84503]
* LIGAND-CPD:
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{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C)C}}
** [http://www.genome.jp/dbget-bin/www_bget?C03467 C03467]
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{{#set: inchi key=InChIKey=CMPNJZREBHCPHN-LTNIBBDRSA-M}}
{{#set: smiles=CC(C)C(CC([O-])=O)=O}}
+
{{#set: common name=3-decaprenyl-4-hydroxybenzoate}}
{{#set: common name=β-ketoisocaproate}}
+
{{#set: molecular weight=818.297    }}
{{#set: inchi key=InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-M}}
+
{{#set: consumed by=RXN-9279}}
{{#set: molecular weight=129.135    }}
+
{{#set: produced by=RXN-9230}}
{{#set: common name=4-methyl-3-oxopentanoate|3-oxo-4-methylpentanoate|β-oxo-4-methylcaproate}}
+
{{#set: consumed by=RXN-7691}}
+
{{#set: produced by=RXN-7690}}
+

Revision as of 16:24, 23 May 2018

Metabolite CPD-9864

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=CMPNJZREBHCPHN-LTNIBBDRSA-M
  • common name:
    • 3-decaprenyl-4-hydroxybenzoate
  • molecular weight:
    • 818.297
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.