Difference between revisions of "CPDQT-41"

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(Created page with "Category:metabolite == Metabolite 1-CHLORO-24-DINITROBENZENE == * common-name: ** 1-chloro-2,4-dinitrobenzene * smiles: ** c1(c=c(cl)c(=cc=1[n+]([o-])=o)[n+]([o-])=o) * in...")
(Created page with "Category:metabolite == Metabolite CPDQT-41 == * common-name: ** 10-(methylthio)-2-oxodecanoate * smiles: ** csccccccccc(=o)c([o-])=o * inchi-key: ** iezwlijbcdcgeu-uhfffao...")
 
(3 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 1-CHLORO-24-DINITROBENZENE ==
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== Metabolite CPDQT-41 ==
 
* common-name:
 
* common-name:
** 1-chloro-2,4-dinitrobenzene
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** 10-(methylthio)-2-oxodecanoate
 
* smiles:
 
* smiles:
** c1(c=c(cl)c(=cc=1[n+]([o-])=o)[n+]([o-])=o)
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** csccccccccc(=o)c([o-])=o
 
* inchi-key:
 
* inchi-key:
** vyzahlcbvhpddf-uhfffaoysa-n
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** iezwlijbcdcgeu-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 202.554
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** 231.329
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[GST-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[GST-RXN]]
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* [[RXNQT-4178]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=1-chloro-2,4-dinitrobenzene}}
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{{#set: common-name=10-(methylthio)-2-oxodecanoate}}
{{#set: inchi-key=inchikey=vyzahlcbvhpddf-uhfffaoysa-n}}
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{{#set: inchi-key=inchikey=iezwlijbcdcgeu-uhfffaoysa-m}}
{{#set: molecular-weight=202.554}}
+
{{#set: molecular-weight=231.329}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPDQT-41

  • common-name:
    • 10-(methylthio)-2-oxodecanoate
  • smiles:
    • csccccccccc(=o)c([o-])=o
  • inchi-key:
    • iezwlijbcdcgeu-uhfffaoysa-m
  • molecular-weight:
    • 231.329

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality