Difference between revisions of "KYNURENATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-4CH3-PENTANOATE 2K-4CH3-PENTANOATE] == * smiles: ** CC(C)CC(C([O-])=O)=O * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KYNURENATE KYNURENATE] == * smiles: ** C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2)) * inchi key:...")
 
(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=2K-4CH3-PENTANOATE 2K-4CH3-PENTANOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=KYNURENATE KYNURENATE] ==
 
* smiles:
 
* smiles:
** CC(C)CC(C([O-])=O)=O
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** C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))
 
* inchi key:
 
* inchi key:
** InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
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** InChIKey=HCZHHEIFKROPDY-UHFFFAOYSA-L
 
* common name:
 
* common name:
** 4-methyl-2-oxopentanoate
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** kynurenate
 
* molecular weight:
 
* molecular weight:
** 129.135    
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** 187.154    
 
* Synonym(s):
 
* Synonym(s):
** 2-keto-4-methyl-pentanoate
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** kynurenic acid
** 2-oxoisocaproate
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** 2-oxo-4-methylpentanoate
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** α-ketoisocaproate
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** α-oxoisocaproate
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** 2-ketoisocaproate
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** ketoleucine
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** 4-methyl-2-oxopentanoic acid
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[KETOISOCAPROATE-RXN]]
 
* [[2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7800]]
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* [[RXN-10720]]
* [[RXN-13158]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 816-66-0
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* CAS : 492-27-3
* BIGG : 34334
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3527278 3527278]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201402 25201402]
* HMDB : HMDB00695
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* HMDB : HMDB00715
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00233 C00233]
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** [http://www.genome.jp/dbget-bin/www_bget?C01717 C01717]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.2766269.html 2766269]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17865 17865]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18344 18344]
* METABOLIGHTS : MTBLC17865
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* METABOLIGHTS : MTBLC18344
{{#set: smiles=CC(C)CC(C([O-])=O)=O}}
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{{#set: smiles=C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))}}
{{#set: inchi key=InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=HCZHHEIFKROPDY-UHFFFAOYSA-L}}
{{#set: common name=4-methyl-2-oxopentanoate}}
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{{#set: common name=kynurenate}}
{{#set: molecular weight=129.135   }}
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{{#set: molecular weight=187.154   }}
{{#set: common name=2-keto-4-methyl-pentanoate|2-oxoisocaproate|2-oxo-4-methylpentanoate|α-ketoisocaproate|α-oxoisocaproate|2-ketoisocaproate|ketoleucine|4-methyl-2-oxopentanoic acid}}
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{{#set: common name=kynurenic acid}}
{{#set: consumed by=KETOISOCAPROATE-RXN|2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}}
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{{#set: produced by=RXN-10720}}
{{#set: produced by=RXN-7800|RXN-13158}}
+
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERLEU-RXN}}
+

Latest revision as of 19:58, 21 March 2018

Metabolite KYNURENATE

  • smiles:
    • C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))
  • inchi key:
    • InChIKey=HCZHHEIFKROPDY-UHFFFAOYSA-L
  • common name:
    • kynurenate
  • molecular weight:
    • 187.154
  • Synonym(s):
    • kynurenic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 492-27-3
  • PUBCHEM:
  • HMDB : HMDB00715
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC18344
"C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))" cannot be used as a page name in this wiki.