Difference between revisions of "CPD-8609"

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(Created page with "Category:metabolite == Metabolite CPD-16825 == * common-name: ** (s)-equol 4'-sulfate * smiles: ** c1(c=c(c=c2(occ(cc=12)c3(c=cc(=cc=3)os([o-])(=o)=o)))o) * inchi-key: **...")
(Created page with "Category:metabolite == Metabolite S-24-DINITROPHENYLGLUTATHIONE == * common-name: ** 2,4-dinitrophenyl-s-glutathione * smiles: ** c(=o)([o-])cnc(=o)c(nc(=o)ccc([n+])c(=o)[...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-16825 ==
+
== Metabolite S-24-DINITROPHENYLGLUTATHIONE ==
 
* common-name:
 
* common-name:
** (s)-equol 4'-sulfate
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** 2,4-dinitrophenyl-s-glutathione
 
* smiles:
 
* smiles:
** c1(c=c(c=c2(occ(cc=12)c3(c=cc(=cc=3)os([o-])(=o)=o)))o)
+
** c(=o)([o-])cnc(=o)c(nc(=o)ccc([n+])c(=o)[o-])csc1(c=cc([n+]([o-])=o)=cc([n+]([o-])=o)=1)
 
* inchi-key:
 
* inchi-key:
** uxojwgsgkuymia-gfccvegcsa-m
+
** fxeukvkgtkddiq-uwvggrqhsa-m
 
* molecular-weight:
 
* molecular-weight:
** 321.324
+
** 472.406
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15589]]
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* [[GST-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15589]]
+
* [[GST-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(s)-equol 4'-sulfate}}
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{{#set: common-name=2,4-dinitrophenyl-s-glutathione}}
{{#set: inchi-key=inchikey=uxojwgsgkuymia-gfccvegcsa-m}}
+
{{#set: inchi-key=inchikey=fxeukvkgtkddiq-uwvggrqhsa-m}}
{{#set: molecular-weight=321.324}}
+
{{#set: molecular-weight=472.406}}

Revision as of 11:19, 15 January 2021

Metabolite S-24-DINITROPHENYLGLUTATHIONE

  • common-name:
    • 2,4-dinitrophenyl-s-glutathione
  • smiles:
    • c(=o)([o-])cnc(=o)c(nc(=o)ccc([n+])c(=o)[o-])csc1(c=cc([n+]([o-])=o)=cc([n+]([o-])=o)=1)
  • inchi-key:
    • fxeukvkgtkddiq-uwvggrqhsa-m
  • molecular-weight:
    • 472.406

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality