Difference between revisions of "CPD-194"

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(Created page with "Category:metabolite == Metabolite ANDROST4ENE == * common-name: ** androst-4-ene-3,17-dione * smiles: ** cc34(ccc(=o)c=c(cc[ch]1([ch](ccc2(c)(c(cc[ch]12)=o))3))4) * inchi-...")
(Created page with "Category:metabolite == Metabolite CPD-194 == * common-name: ** 4-nitrophenyl phosphate * smiles: ** c1(=cc(op([o-])(=o)[o-])=cc=c([n+]([o-])=o)1) * inchi-key: ** xzkihkmte...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ANDROST4ENE ==
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== Metabolite CPD-194 ==
 
* common-name:
 
* common-name:
** androst-4-ene-3,17-dione
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** 4-nitrophenyl phosphate
 
* smiles:
 
* smiles:
** cc34(ccc(=o)c=c(cc[ch]1([ch](ccc2(c)(c(cc[ch]12)=o))3))4)
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** c1(=cc(op([o-])(=o)[o-])=cc=c([n+]([o-])=o)1)
 
* inchi-key:
 
* inchi-key:
** aemfnilzojdqlw-qaggrknesa-n
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** xzkihkmtemtjqx-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 286.413
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** 217.074
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.1.1.64-RXN]]
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* [[4-NITROPHENYLPHOSPHATASE-RXN]]
* [[TESTOSTERONE-17-BETA-DEHYDROGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.1.1.51-RXN]]
 
* [[RXN-12124]]
 
* [[TESTOSTERONE-17-BETA-DEHYDROGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=androst-4-ene-3,17-dione}}
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{{#set: common-name=4-nitrophenyl phosphate}}
{{#set: inchi-key=inchikey=aemfnilzojdqlw-qaggrknesa-n}}
+
{{#set: inchi-key=inchikey=xzkihkmtemtjqx-uhfffaoysa-l}}
{{#set: molecular-weight=286.413}}
+
{{#set: molecular-weight=217.074}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-194

  • common-name:
    • 4-nitrophenyl phosphate
  • smiles:
    • c1(=cc(op([o-])(=o)[o-])=cc=c([n+]([o-])=o)1)
  • inchi-key:
    • xzkihkmtemtjqx-uhfffaoysa-l
  • molecular-weight:
    • 217.074

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality