Difference between revisions of "CPD-14876"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-IMIDAZOLEACETATE 4-IMIDAZOLEACETATE] == * smiles: ** C1(NC=C(CC(=O)[O-])N=1) * inchi key: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14876 CPD-14876] == * smiles: ** CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1) * common name: ** 3-ace...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-IMIDAZOLEACETATE 4-IMIDAZOLEACETATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14876 CPD-14876] ==
 
* smiles:
 
* smiles:
** C1(NC=C(CC(=O)[O-])N=1)
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** CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1)
* inchi key:
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** InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M
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* common name:
 
* common name:
** 4-imidazoleacetate
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** 3-acetylamino-4-hydroxybenzaldehyde
 +
* inchi key:
 +
** InChIKey=ODYOPAJBVPISJD-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 125.107    
+
** 178.167    
 
* Synonym(s):
 
* Synonym(s):
** imidazole-4-acetate
 
** imidazoleacetic acid
 
  
 
== 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 ==
* [[ALDH_im4ac]]
 
* [[RXN-10089]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13871]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4139109 4139109]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657664 90657664]
* HMDB : HMDB02024
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{{#set: smiles=CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1)}}
* LIGAND-CPD:
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{{#set: common name=3-acetylamino-4-hydroxybenzaldehyde}}
** [http://www.genome.jp/dbget-bin/www_bget?C02835 C02835]
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{{#set: inchi key=InChIKey=ODYOPAJBVPISJD-UHFFFAOYSA-M}}
* CHEMSPIDER:
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{{#set: molecular weight=178.167   }}
** [http://www.chemspider.com/Chemical-Structure.3351679.html 3351679]
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{{#set: reversible reaction associated=RXN-13871}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57969 57969]
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* METABOLIGHTS : MTBLC57969
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{{#set: smiles=C1(NC=C(CC(=O)[O-])N=1)}}
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{{#set: inchi key=InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M}}
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{{#set: common name=4-imidazoleacetate}}
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{{#set: molecular weight=125.107   }}
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{{#set: common name=imidazole-4-acetate|imidazoleacetic acid}}
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{{#set: produced by=ALDH_im4ac|RXN-10089}}
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Latest revision as of 20:19, 21 March 2018

Metabolite CPD-14876

  • smiles:
    • CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1)
  • common name:
    • 3-acetylamino-4-hydroxybenzaldehyde
  • inchi key:
    • InChIKey=ODYOPAJBVPISJD-UHFFFAOYSA-M
  • molecular weight:
    • 178.167
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1)" cannot be used as a page name in this wiki.