Difference between revisions of "Curation"

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(Created page with "{{#ask: Category:reaction reconstruction category::manual | ?common-name | ?ec-number | ?reconstruction tool | ?reconstruction source | ?reconstruction comment | ?nb g...")
 
(Created page with "Category:metabolite == Metabolite CPD-11407 == * common-name: ** thyroxine sulfate * molecular-weight: ** 855.924 * inchi-key: ** qyxijuzwssqict-lbprgkrzsa-m * smiles: **...")
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{{#ask: [[Category:reaction]] [[reconstruction category::manual]]
+
[[Category:metabolite]]
| ?common-name
+
== Metabolite CPD-11407 ==
| ?ec-number
+
* common-name:
| ?reconstruction tool
+
** thyroxine sulfate
| ?reconstruction source
+
* molecular-weight:
| ?reconstruction comment
+
** 855.924
| ?nb gene associated
+
* inchi-key:
| ?nb pathway associated
+
** qyxijuzwssqict-lbprgkrzsa-m
}}
+
* smiles:
 +
** c2(c(i)=c(oc1(c=c(c(os(=o)(=o)[o-])=c(c=1)i)i))c(=cc=2cc(c(=o)[o-])[n+])i)
 +
== Reaction(s) known to consume the compound ==
 +
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10614]]
 +
== Reaction(s) of unknown directionality ==
 +
{{#set: common-name=thyroxine sulfate}}
 +
{{#set: molecular-weight=855.924}}
 +
{{#set: inchi-key=inchikey=qyxijuzwssqict-lbprgkrzsa-m}}

Revision as of 17:58, 13 January 2021

Metabolite CPD-11407

  • common-name:
    • thyroxine sulfate
  • molecular-weight:
    • 855.924
  • inchi-key:
    • qyxijuzwssqict-lbprgkrzsa-m
  • smiles:
    • c2(c(i)=c(oc1(c=c(c(os(=o)(=o)[o-])=c(c=1)i)i))c(=cc=2cc(c(=o)[o-])[n+])i)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality