Difference between revisions of "Ec-18 003910"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17272 CPD-17272] == * smiles: ** CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O * inch...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] == * smiles: ** C(#N)[S-] * inchi key: ** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M * com...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17272 CPD-17272] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HSCN HSCN] ==
 
* smiles:
 
* smiles:
** CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O
+
** C(#N)[S-]
 
* inchi key:
 
* inchi key:
** InChIKey=DOZKMFVMCATMEH-OZKTZCCCSA-N
+
** InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M
 
* common name:
 
* common name:
** 1-oleoyl-2-palmitoyl-glycerol
+
** thiocyanate
 
* molecular weight:
 
* molecular weight:
** 594.957    
+
** 58.078    
 
* Synonym(s):
 
* Synonym(s):
 +
** thiocyanic acid
 +
** hydrogen thiocyanate
  
 
== 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 ==
 +
* [[RXN0-6359]]
 +
* [[THIOSULFATE-SULFURTRANSFERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-16027]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 463-56-9
 +
* BIGG : 38336
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5283471 5283471]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9322 9322]
 +
* HMDB : HMDB01453
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01755 C01755]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.8961.html 8961]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=75447 75447]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18022 18022]
{{#set: smiles=CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O}}
+
* METABOLIGHTS : MTBLC18022
{{#set: inchi key=InChIKey=DOZKMFVMCATMEH-OZKTZCCCSA-N}}
+
{{#set: smiles=C(#N)[S-]}}
{{#set: common name=1-oleoyl-2-palmitoyl-glycerol}}
+
{{#set: inchi key=InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M}}
{{#set: molecular weight=594.957   }}
+
{{#set: common name=thiocyanate}}
{{#set: reversible reaction associated=RXN-16027}}
+
{{#set: molecular weight=58.078   }}
 +
{{#set: common name=thiocyanic acid|hydrogen thiocyanate}}
 +
{{#set: produced by=RXN0-6359|THIOSULFATE-SULFURTRANSFERASE-RXN}}

Revision as of 13:18, 21 March 2018

Metabolite HSCN

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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 463-56-9
  • BIGG : 38336
  • PUBCHEM:
  • HMDB : HMDB01453
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18022