Difference between revisions of "CPD-37"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-FORMYLKYNURENINE N-FORMYLKYNURENINE] == * smiles: ** [CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHURENATE XANTHURENATE] == * smiles: ** C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-])) * inch...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-FORMYLKYNURENINE N-FORMYLKYNURENINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHURENATE XANTHURENATE] ==
 
* smiles:
 
* smiles:
** [CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])
+
** C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))
 
* inchi key:
 
* inchi key:
** InChIKey=BYHJHXPTQMMKCA-QMMMGPOBSA-N
+
** InChIKey=FBZONXHGGPHHIY-UHFFFAOYSA-L
 
* common name:
 
* common name:
** N-formylkynurenine
+
** xanthurenate
 
* molecular weight:
 
* molecular weight:
** 236.227    
+
** 203.154    
 
* Synonym(s):
 
* Synonym(s):
** N-Formyl-L-kynurenine
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8665]]
+
* [[RXN-10722]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 1022-31-7
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202092 25202092]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58629 58629]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02700 C02700]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02470 C02470]
* HMDB : HMDB60485
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* CHEBI:
{{#set: smiles=[CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71201 71201]
{{#set: inchi key=InChIKey=BYHJHXPTQMMKCA-QMMMGPOBSA-N}}
+
* METABOLIGHTS : MTBLC71201
{{#set: common name=N-formylkynurenine}}
+
* PUBCHEM:
{{#set: molecular weight=236.227   }}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203183 25203183]
{{#set: common name=N-Formyl-L-kynurenine}}
+
* HMDB : HMDB00881
{{#set: produced by=RXN-8665}}
+
{{#set: smiles=C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))}}
 +
{{#set: inchi key=InChIKey=FBZONXHGGPHHIY-UHFFFAOYSA-L}}
 +
{{#set: common name=xanthurenate}}
 +
{{#set: molecular weight=203.154   }}
 +
{{#set: produced by=RXN-10722}}

Revision as of 13:40, 21 March 2018

Metabolite XANTHURENATE

  • smiles:
    • C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))
  • inchi key:
    • InChIKey=FBZONXHGGPHHIY-UHFFFAOYSA-L
  • common name:
    • xanthurenate
  • molecular weight:
    • 203.154
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC71201
  • PUBCHEM:
  • HMDB : HMDB00881
"C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))" cannot be used as a page name in this wiki.