Difference between revisions of "CPD-7137"

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(Created page with "Category:metabolite == Metabolite CPD-11402 == * common-name: ** 3,5,3'-triiodo-l-thyronine acyl β-d-glucuronide * smiles: ** c([o-])(=o)c1(oc(c(o)c(o)c(o)1)oc(=o)c(n...")
(Created page with "Category:metabolite == Metabolite CPD-1081 == * common-name: ** 5α-cholestan-3-one * smiles: ** cc(c)cccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34)))...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11402 ==
+
== Metabolite CPD-1081 ==
 
* common-name:
 
* common-name:
** 3,5,3'-triiodo-l-thyronine acyl β-d-glucuronide
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** 5α-cholestan-3-one
 
* smiles:
 
* smiles:
** c([o-])(=o)c1(oc(c(o)c(o)c(o)1)oc(=o)c(n)cc2(=cc(i)=c(c(i)=c2)oc3(=cc(i)=c(o)c=c3)))
+
** cc(c)cccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** lqmbvwcqwfepfk-dkbymcrtsa-m
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** peskgjqreuxsrr-uxiwksivsa-n
 
* molecular-weight:
 
* molecular-weight:
** 826.095
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** 386.66
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10609]]
+
* [[CHOLESTENONE-5-ALPHA-REDUCTASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3,5,3'-triiodo-l-thyronine acyl β-d-glucuronide}}
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{{#set: common-name=5α-cholestan-3-one}}
{{#set: inchi-key=inchikey=lqmbvwcqwfepfk-dkbymcrtsa-m}}
+
{{#set: inchi-key=inchikey=peskgjqreuxsrr-uxiwksivsa-n}}
{{#set: molecular-weight=826.095}}
+
{{#set: molecular-weight=386.66}}

Revision as of 13:09, 14 January 2021

Metabolite CPD-1081

  • common-name:
    • 5α-cholestan-3-one
  • smiles:
    • cc(c)cccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34))))
  • inchi-key:
    • peskgjqreuxsrr-uxiwksivsa-n
  • molecular-weight:
    • 386.66

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality