Difference between revisions of "CPD-19150"

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(Created page with "Category:metabolite == Metabolite CPD66-29 == * common-name: ** 5-androstene-3,17-dione * smiles: ** cc24(ccc(=o)cc(=cc[ch]1([ch]3(ccc(=o)c(cc[ch]12)(c)3)))4) * inchi-key:...")
(Created page with "Category:metabolite == Metabolite 34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY == * common-name: ** 3,4-dehydrothiomorpholine-3-carboxylate * smiles: ** c1(cscc(=n1)c(=o)[o-]) *...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD66-29 ==
+
== Metabolite 34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY ==
 
* common-name:
 
* common-name:
** 5-androstene-3,17-dione
+
** 3,4-dehydrothiomorpholine-3-carboxylate
 
* smiles:
 
* smiles:
** cc24(ccc(=o)cc(=cc[ch]1([ch]3(ccc(=o)c(cc[ch]12)(c)3)))4)
+
** c1(cscc(=n1)c(=o)[o-])
 
* inchi-key:
 
* inchi-key:
** sqgzfritsmykrh-qaggrknesa-n
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** hrxjcqxgahsujc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 286.413
+
** 144.168
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-342]]
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* [[1.5.1.25-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-342]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5-androstene-3,17-dione}}
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{{#set: common-name=3,4-dehydrothiomorpholine-3-carboxylate}}
{{#set: inchi-key=inchikey=sqgzfritsmykrh-qaggrknesa-n}}
+
{{#set: inchi-key=inchikey=hrxjcqxgahsujc-uhfffaoysa-m}}
{{#set: molecular-weight=286.413}}
+
{{#set: molecular-weight=144.168}}

Revision as of 08:28, 15 March 2021

Metabolite 34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY

  • common-name:
    • 3,4-dehydrothiomorpholine-3-carboxylate
  • smiles:
    • c1(cscc(=n1)c(=o)[o-])
  • inchi-key:
    • hrxjcqxgahsujc-uhfffaoysa-m
  • molecular-weight:
    • 144.168

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality