Difference between revisions of "CPD-358"

Revision as of 13:12, 14 January 2021

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

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite LEUKOTRIENE-C4 ==
+== Metabolite S-24-DINITROPHENYLGLUTATHIONE ==
 * common-name:
-** leukotriene-c4
+** 2,4-dinitrophenyl-s-glutathione
 * smiles:
-** cccccc=ccc=cc=cc=cc(scc(c(=o)ncc([o-])=o)nc(ccc(c(=o)[o-])[n+])=o)c(cccc([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:
-** gwnvdxqdilpjig-nxolixfesa-l
+** fxeukvkgtkddiq-uwvggrqhsa-m
 * molecular-weight:
-** 623.76
+** 472.406
 == Reaction(s) known to consume the compound ==
-* [[RXN66-336]]
+* [[GST-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[LEUKOTRIENE-C4-SYNTHASE-RXN]]
+* [[GST-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=leukotriene-c4}}
+{{#set: common-name=2,4-dinitrophenyl-s-glutathione}}
-{{#set: inchi-key=inchikey=gwnvdxqdilpjig-nxolixfesa-l}}
+{{#set: inchi-key=inchikey=fxeukvkgtkddiq-uwvggrqhsa-m}}
-{{#set: molecular-weight=623.76}}
+{{#set: molecular-weight=472.406}}