Difference between revisions of "CPD-10420"

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(Created page with "Category:metabolite == Metabolite CPD-10576 == * common-name: ** 4-chlorosalicylate * smiles: ** c(c1(c=cc(cl)=cc=1o))([o-])=o * inchi-key: ** lwxfczxrfbuoor-uhfffaoysa-m...")
(Created page with "Category:metabolite == Metabolite CPD-10420 == * common-name: ** 4-sulfomuconolactone * smiles: ** c([o-])(=o)cc1(s(=o)(=o)[o-])(c=cc(=o)o1) * inchi-key: ** weeoykxhmipyqx...")
 
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10576 ==
+
== Metabolite CPD-10420 ==
 
* common-name:
 
* common-name:
** 4-chlorosalicylate
+
** 4-sulfomuconolactone
 
* smiles:
 
* smiles:
** c(c1(c=cc(cl)=cc=1o))([o-])=o
+
** c([o-])(=o)cc1(s(=o)(=o)[o-])(c=cc(=o)o1)
 
* inchi-key:
 
* inchi-key:
** lwxfczxrfbuoor-uhfffaoysa-m
+
** weeoykxhmipyqx-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 171.56
+
** 220.153
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9912]]
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* [[RXN-9733]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-chlorosalicylate}}
+
{{#set: common-name=4-sulfomuconolactone}}
{{#set: inchi-key=inchikey=lwxfczxrfbuoor-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=weeoykxhmipyqx-uhfffaoysa-l}}
{{#set: molecular-weight=171.56}}
+
{{#set: molecular-weight=220.153}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-10420

  • common-name:
    • 4-sulfomuconolactone
  • smiles:
    • c([o-])(=o)cc1(s(=o)(=o)[o-])(c=cc(=o)o1)
  • inchi-key:
    • weeoykxhmipyqx-uhfffaoysa-l
  • molecular-weight:
    • 220.153

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality