Difference between revisions of "CPD-12017"

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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-12017 == * common-name: ** n-acetyl-serotonin sulfate * smiles: ** cc(=o)nccc1(=cnc2(=cc=c(os([o-])(=o)=o)c=c12)) * inchi-key: ** uca...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ANDROST4ENE ==
+
== Metabolite CPD-12017 ==
 
* common-name:
 
* common-name:
** androst-4-ene-3,17-dione
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** n-acetyl-serotonin sulfate
 
* smiles:
 
* smiles:
** cc34(ccc(=o)c=c(cc[ch]1([ch](ccc2(c)(c(cc[ch]12)=o))3))4)
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** cc(=o)nccc1(=cnc2(=cc=c(os([o-])(=o)=o)c=c12))
 
* inchi-key:
 
* inchi-key:
** aemfnilzojdqlw-qaggrknesa-n
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** ucajznvfrvluls-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 286.413
+
** 297.305
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.1.1.64-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]]
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* [[RXN-11059]]
* [[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=n-acetyl-serotonin sulfate}}
{{#set: inchi-key=inchikey=aemfnilzojdqlw-qaggrknesa-n}}
+
{{#set: inchi-key=inchikey=ucajznvfrvluls-uhfffaoysa-m}}
{{#set: molecular-weight=286.413}}
+
{{#set: molecular-weight=297.305}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-12017

  • common-name:
    • n-acetyl-serotonin sulfate
  • smiles:
    • cc(=o)nccc1(=cnc2(=cc=c(os([o-])(=o)=o)c=c12))
  • inchi-key:
    • ucajznvfrvluls-uhfffaoysa-m
  • molecular-weight:
    • 297.305

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality