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-])=...")
 
 
(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=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
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== 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
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** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
 +
* molecular weight:
 +
** 208.216   
 
* inchi key:
 
* inchi key:
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
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** InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
 
* common name:
 
* common name:
** 4-maleyl-acetoacetate
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** L-kynurenine
* molecular weight:
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** 198.132   
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* 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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* [[KYNURENINASE-RXN]]
 +
* [[KYNURENINE-3-MONOOXYGENASE-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  ==
* PUBCHEM:
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* METABOLIGHTS : MTBLC57959
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
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* CAS : 343-65-7
* HMDB : HMDB02052
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* HMDB : HMDB00684
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57959 57959]
* METABOLIGHTS : MTBLC17105
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* LIGAND-CPD:
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01718 C01718]
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
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* PUBCHEM:
{{#set: common name=4-maleyl-acetoacetate}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971029 6971029]
{{#set: molecular weight=198.132    }}
+
{{#set: smiles=C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)}}
{{#set: consumed by=MALEYLACETOACETATE-ISOMERASE-RXN}}
+
{{#set: molecular weight=208.216    }}
{{#set: produced by=HOMOGENTISATE-12-DIOXYGENASE-RXN}}
+
{{#set: inchi key=InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N}}
 +
{{#set: common name=L-kynurenine}}
 +
{{#set: common name=kynurenine}}
 +
{{#set: consumed by=KYNURENINASE-RXN|KYNURENINE-3-MONOOXYGENASE-RXN}}

Latest revision as of 19:04, 9 January 2019

Metabolite CPD-14736

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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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