Difference between revisions of "CPD66-29"

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(Created page with "Category:metabolite == Metabolite S-NORCOCLAURINE == * common-name: ** (s)-norcoclaurine * smiles: ** c1([n+][ch](c2(=c(c1)c=c(c(=c2)o)o))cc3(=cc=c(c=c3)o)) * inchi-key: *...")
(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:...")
 
(6 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite S-NORCOCLAURINE ==
+
== Metabolite CPD66-29 ==
 
* common-name:
 
* common-name:
** (s)-norcoclaurine
+
** 5-androstene-3,17-dione
 
* smiles:
 
* smiles:
** c1([n+][ch](c2(=c(c1)c=c(c(=c2)o)o))cc3(=cc=c(c=c3)o))
+
** cc24(ccc(=o)cc(=cc[ch]1([ch]3(ccc(=o)c(cc[ch]12)(c)3)))4)
 
* inchi-key:
 
* inchi-key:
** wzrcqwqrfzitdx-aweznqclsa-o
+
** sqgzfritsmykrh-qaggrknesa-n
 
* molecular-weight:
 
* molecular-weight:
** 272.323
+
** 286.413
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2.1.1.128-RXN]]
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* [[RXN66-342]]
 
== 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=(s)-norcoclaurine}}
+
{{#set: common-name=5-androstene-3,17-dione}}
{{#set: inchi-key=inchikey=wzrcqwqrfzitdx-aweznqclsa-o}}
+
{{#set: inchi-key=inchikey=sqgzfritsmykrh-qaggrknesa-n}}
{{#set: molecular-weight=272.323}}
+
{{#set: molecular-weight=286.413}}

Latest revision as of 11:15, 18 March 2021

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:
    • sqgzfritsmykrh-qaggrknesa-n
  • molecular-weight:
    • 286.413

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality