Difference between revisions of "CPD-14736"

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(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-])=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] == * smiles: ** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1) * inchi key: ** I...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
+
** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
 
* inchi key:
 
* inchi key:
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
+
** InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
 
* common name:
 
* common name:
** 4-maleyl-acetoacetate
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** L-kynurenine
 
* molecular weight:
 
* molecular weight:
** 198.132    
+
** 208.216    
 
* Synonym(s):
 
* Synonym(s):
 +
** kynurenine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[MALEYLACETOACETATE-ISOMERASE-RXN]]
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* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 +
* [[KYNURENINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 343-65-7
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971029 6971029]
* HMDB : HMDB02052
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* HMDB : HMDB00684
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
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** [http://www.genome.jp/dbget-bin/www_bget?C01718 C01718]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57959 57959]
* METABOLIGHTS : MTBLC17105
+
* METABOLIGHTS : MTBLC57959
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
+
{{#set: smiles=C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)}}
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
+
{{#set: inchi key=InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N}}
{{#set: common name=4-maleyl-acetoacetate}}
+
{{#set: common name=L-kynurenine}}
{{#set: molecular weight=198.132   }}
+
{{#set: molecular weight=208.216   }}
{{#set: consumed by=MALEYLACETOACETATE-ISOMERASE-RXN}}
+
{{#set: common name=kynurenine}}
{{#set: produced by=HOMOGENTISATE-12-DIOXYGENASE-RXN}}
+
{{#set: consumed by=KYNURENINE-3-MONOOXYGENASE-RXN|KYNURENINASE-RXN}}

Revision as of 17:02, 23 May 2018

Metabolite CPD-14736

  • smiles:
    • C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
  • inchi key:
    • InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
  • common name:
    • L-kynurenine
  • molecular weight:
    • 208.216
  • Synonym(s):
    • kynurenine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 343-65-7
  • PUBCHEM:
  • HMDB : HMDB00684
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57959
"C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)" cannot be used as a page name in this wiki.