Difference between revisions of "CPD-804"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2)) *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] == * smiles: ** C(CCC(O)CC(C([O-])=O)=O)([O-])=O * common name: ** (4S)-4-hydr...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-7-DIMETHYLXANTHINE 1-7-DIMETHYLXANTHINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] ==
 
* smiles:
 
* smiles:
** CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))
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** C(CCC(O)CC(C([O-])=O)=O)([O-])=O
 
* common name:
 
* common name:
** paraxanthine
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** (4S)-4-hydroxy-2-oxoheptanedioate
 
* inchi key:
 
* inchi key:
** InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
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** InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
 
* molecular weight:
 
* molecular weight:
** 180.166    
+
** 188.137    
 
* Synonym(s):
 
* Synonym(s):
** 1,7-dimethylxanthine
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** 4-hydroxy-2-ketoheptane-1,7-dioate
 +
** 2-oxo-4-hydroxyhepta-1,7-dioate
 +
** 4-hydroxy-2-oxo-heptanedioate
 +
** 4-hydroxy-2-ketopimelate
 +
** 2-keto-4-hydroxypimelate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11520]]
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* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== 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=4687 4687]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91828275 91828275]
* HMDB : HMDB01860
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C13747 C13747]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4525.html 4525]
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** [http://www.chemspider.com/Chemical-Structure.19951289.html 19951289]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25858 25858]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87522 87522]
* METABOLIGHTS : MTBLC25858
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* LIGAND-CPD:
{{#set: smiles=CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05601 C05601]
{{#set: common name=paraxanthine}}
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{{#set: smiles=C(CCC(O)CC(C([O-])=O)=O)([O-])=O}}
{{#set: inchi key=InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N}}
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{{#set: common name=(4S)-4-hydroxy-2-oxoheptanedioate}}
{{#set: molecular weight=180.166   }}
+
{{#set: inchi key=InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L}}
{{#set: common name=1,7-dimethylxanthine}}
+
{{#set: molecular weight=188.137   }}
{{#set: consumed by=RXN-11520}}
+
{{#set: common name=4-hydroxy-2-ketoheptane-1,7-dioate|2-oxo-4-hydroxyhepta-1,7-dioate|4-hydroxy-2-oxo-heptanedioate|4-hydroxy-2-ketopimelate|2-keto-4-hydroxypimelate}}
 +
{{#set: consumed by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN}}

Latest revision as of 20:00, 21 March 2018

Metabolite CPD-804

  • smiles:
    • C(CCC(O)CC(C([O-])=O)=O)([O-])=O
  • common name:
    • (4S)-4-hydroxy-2-oxoheptanedioate
  • inchi key:
    • InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
  • molecular weight:
    • 188.137
  • Synonym(s):
    • 4-hydroxy-2-ketoheptane-1,7-dioate
    • 2-oxo-4-hydroxyhepta-1,7-dioate
    • 4-hydroxy-2-oxo-heptanedioate
    • 4-hydroxy-2-ketopimelate
    • 2-keto-4-hydroxypimelate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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