Difference between revisions of "CPD-13754"

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(Created page with "Category:metabolite == Metabolite CPD-11407 == * common-name: ** thyroxine sulfate * molecular-weight: ** 855.924 * inchi-key: ** qyxijuzwssqict-lbprgkrzsa-m * smiles: **...")
(Created page with "Category:metabolite == Metabolite CPD-13754 == * common-name: ** 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa * molecular-weight: ** 983.77 *...")
 
(One intermediate revision by the same user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11407 ==
+
== Metabolite CPD-13754 ==
 
* common-name:
 
* common-name:
** thyroxine sulfate
+
** 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
 
* molecular-weight:
 
* molecular-weight:
** 855.924
+
** 983.77
 
* inchi-key:
 
* inchi-key:
** qyxijuzwssqict-lbprgkrzsa-m
+
** iwnwmtzijpudpv-mdqhzgblsa-j
 
* smiles:
 
* 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)
+
** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(=o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12747]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10614]]
+
* [[RXN-12747]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=thyroxine sulfate}}
+
{{#set: common-name=3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa}}
{{#set: molecular-weight=855.924}}
+
{{#set: molecular-weight=983.77}}
{{#set: inchi-key=inchikey=qyxijuzwssqict-lbprgkrzsa-m}}
+
{{#set: inchi-key=inchikey=iwnwmtzijpudpv-mdqhzgblsa-j}}

Latest revision as of 19:37, 17 March 2021

Metabolite CPD-13754

  • common-name:
    • 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
  • molecular-weight:
    • 983.77
  • inchi-key:
    • iwnwmtzijpudpv-mdqhzgblsa-j
  • smiles:
    • cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(=o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Property "Common-name" (as page type) with input value "3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.