Difference between revisions of "DIMETHYLSULFONIOACETATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9903 CPD-9903] == * smiles: ** CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O...")
 
 
(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=CPD-9903 CPD-9903] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIMETHYLSULFONIOACETATE DIMETHYLSULFONIOACETATE] ==
 
* smiles:
 
* smiles:
** CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C
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** C(C(=O)[O-])[S+](C)C
 +
* molecular weight:
 +
** 120.166   
 
* inchi key:
 
* inchi key:
** InChIKey=LIEYLSGXGOXYTD-CTBYCIIYSA-M
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** InChIKey=PSBDWGZCVUAZQS-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate
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** dimethylsulfonioacetate
* molecular weight:
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** 629.941   
+
 
* Synonym(s):
 
* Synonym(s):
** 3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
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** carboxymethyl-dimethyl-sulfonium
** 3-heptaprenyl-4,5-dihydroxybenzoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9287]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.1.1.3-RXN]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54740353 54740353]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84450 84450]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16471 16471]
{{#set: smiles=CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C}}
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* PUBCHEM:
{{#set: inchi key=InChIKey=LIEYLSGXGOXYTD-CTBYCIIYSA-M}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=160765 160765]
{{#set: common name=3,4-dihydroxy-5-all-trans-heptaprenylbenzoate}}
+
* LIGAND-CPD:
{{#set: molecular weight=629.941    }}
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** [http://www.genome.jp/dbget-bin/www_bget?C03392 C03392]
{{#set: common name=3-(3,7,11,15,19,23-heptamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid|3-heptaprenyl-4,5-dihydroxybenzoate}}
+
* CHEMSPIDER:
{{#set: consumed by=RXN-9287}}
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** [http://www.chemspider.com/Chemical-Structure.141257.html 141257]
 +
{{#set: smiles=C(C(=O)[O-])[S+](C)C}}
 +
{{#set: molecular weight=120.166    }}
 +
{{#set: inchi key=InChIKey=PSBDWGZCVUAZQS-UHFFFAOYSA-N}}
 +
{{#set: common name=dimethylsulfonioacetate}}
 +
{{#set: common name=carboxymethyl-dimethyl-sulfonium}}
 +
{{#set: reversible reaction associated=2.1.1.3-RXN}}

Latest revision as of 16:49, 9 January 2019

Metabolite DIMETHYLSULFONIOACETATE

  • smiles:
    • C(C(=O)[O-])[S+](C)C
  • molecular weight:
    • 120.166
  • inchi key:
    • InChIKey=PSBDWGZCVUAZQS-UHFFFAOYSA-N
  • common name:
    • dimethylsulfonioacetate
  • Synonym(s):
    • carboxymethyl-dimethyl-sulfonium

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(=O)[O-])[S+](C)C" cannot be used as a page name in this wiki.