Difference between revisions of "TRIMETHYLSULFONIUM"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZENE-NO2 BENZENE-NO2] == * smiles: ** C1(=CC=C(C=C1)[N+]([O-])=O) * inchi key: ** InChIKey=L...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRIMETHYLSULFONIUM TRIMETHYLSULFONIUM] == * smiles: ** C[S+](C)C * inchi key: ** InChIKey=NRZWQ...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZENE-NO2 BENZENE-NO2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRIMETHYLSULFONIUM TRIMETHYLSULFONIUM] ==
 
* smiles:
 
* smiles:
** C1(=CC=C(C=C1)[N+]([O-])=O)
+
** C[S+](C)C
 
* inchi key:
 
* inchi key:
** InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N
+
** InChIKey=NRZWQKGABZFFKE-UHFFFAOYSA-N
 
* common name:
 
* common name:
** nitrobenzene
+
** trimethyl sulfonium
 
* molecular weight:
 
* molecular weight:
** 123.111    
+
** 77.164    
 
* Synonym(s):
 
* Synonym(s):
** benzene-NO2
 
** nitro-benzene
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-3661]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[2.1.1.19-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 98-95-3
+
* CAS : 2181-42-2
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7416 7416]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1147 1147]
* HMDB : HMDB41950
+
* HMDB : HMDB12295
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C06813 C06813]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01008 C01008]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.7138.html 7138]
+
** [http://www.chemspider.com/Chemical-Structure.1115.html 1115]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27798 27798]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17434 17434]
{{#set: smiles=C1(=CC=C(C=C1)[N+]([O-])=O)}}
+
* METABOLIGHTS : MTBLC17434
{{#set: inchi key=InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N}}
+
{{#set: smiles=C[S+](C)C}}
{{#set: common name=nitrobenzene}}
+
{{#set: inchi key=InChIKey=NRZWQKGABZFFKE-UHFFFAOYSA-N}}
{{#set: molecular weight=123.111   }}
+
{{#set: common name=trimethyl sulfonium}}
{{#set: common name=benzene-NO2|nitro-benzene}}
+
{{#set: molecular weight=77.164   }}
{{#set: consumed by=RXN-3661}}
+
{{#set: produced by=2.1.1.19-RXN}}

Latest revision as of 20:59, 21 March 2018

Metabolite TRIMETHYLSULFONIUM

  • smiles:
    • C[S+](C)C
  • inchi key:
    • InChIKey=NRZWQKGABZFFKE-UHFFFAOYSA-N
  • common name:
    • trimethyl sulfonium
  • molecular weight:
    • 77.164
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 2181-42-2
  • PUBCHEM:
  • HMDB : HMDB12295
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17434
"C[S+](C)C" cannot be used as a page name in this wiki.