Difference between revisions of "HSCN"

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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: **...")
 
 
(3 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=HSCN HSCN] ==
 
* smiles:
 
* smiles:
** C1(NC=C(CC(=O)[O-])N=1)
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** C(#N)[S-]
 +
* molecular weight:
 +
** 58.078   
 
* inchi key:
 
* inchi key:
** InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M
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** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M
 
* common name:
 
* common name:
** 4-imidazoleacetate
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** thiocyanate
* molecular weight:
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** 125.107   
+
 
* Synonym(s):
 
* Synonym(s):
** imidazole-4-acetate
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** thiocyanic acid
** imidazoleacetic acid
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** rhodanide
  
 
== 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-10089]]
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* [[RXN0-6359]]
 +
* [[THIOSULFATE-SULFURTRANSFERASE-RXN]]
 +
* [[MERCAPYSTRANS-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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* METABOLIGHTS : MTBLC18022
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4139109 4139109]
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* BIGG : tcynt
* HMDB : HMDB02024
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* CAS : 463-56-9
* LIGAND-CPD:
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* HMDB : HMDB01453
** [http://www.genome.jp/dbget-bin/www_bget?C02835 C02835]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.3351679.html 3351679]
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** [http://www.chemspider.com/Chemical-Structure.8961.html 8961]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57969 57969]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18022 18022]
* METABOLIGHTS : MTBLC57969
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* LIGAND-CPD:
{{#set: smiles=C1(NC=C(CC(=O)[O-])N=1)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01755 C01755]
{{#set: inchi key=InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M}}
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* PUBCHEM:
{{#set: common name=4-imidazoleacetate}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9322 9322]
{{#set: molecular weight=125.107    }}
+
{{#set: smiles=C(#N)[S-]}}
{{#set: common name=imidazole-4-acetate|imidazoleacetic acid}}
+
{{#set: molecular weight=58.078    }}
{{#set: produced by=RXN-10089}}
+
{{#set: inchi key=InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M}}
 +
{{#set: common name=thiocyanate}}
 +
{{#set: common name=thiocyanic acid|rhodanide}}
 +
{{#set: produced by=RXN0-6359|THIOSULFATE-SULFURTRANSFERASE-RXN|MERCAPYSTRANS-RXN}}

Latest revision as of 15:33, 9 January 2019

Metabolite HSCN

  • smiles:
    • C(#N)[S-]
  • molecular weight:
    • 58.078
  • inchi key:
    • InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M
  • common name:
    • thiocyanate
  • Synonym(s):
    • thiocyanic acid
    • rhodanide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC18022
  • BIGG : tcynt
  • CAS : 463-56-9
  • HMDB : HMDB01453
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM: