Difference between revisions of "CPD-6442"

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(Created page with "Category:metabolite == Metabolite CPD-15677 == * common-name: ** 4-trans-undecenoyl-coa * smiles: ** ccccccc=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([...")
(Created page with "Category:metabolite == Metabolite CPD-6442 == * common-name: ** methylsalicylate * smiles: ** coc(c1(c=cc=cc=1o))=o * inchi-key: ** oswpmrlsedhdff-uhfffaoysa-n * molecular...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15677 ==
+
== Metabolite CPD-6442 ==
 
* common-name:
 
* common-name:
** 4-trans-undecenoyl-coa
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** methylsalicylate
 
* smiles:
 
* smiles:
** ccccccc=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
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** coc(c1(c=cc=cc=1o))=o
 
* inchi-key:
 
* inchi-key:
** afmmiiqkxqnedn-dupkwvsksa-j
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** oswpmrlsedhdff-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 929.765
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** 152.149
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14789]]
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* [[RXNQT-4366]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14788]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-trans-undecenoyl-coa}}
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{{#set: common-name=methylsalicylate}}
{{#set: inchi-key=inchikey=afmmiiqkxqnedn-dupkwvsksa-j}}
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{{#set: inchi-key=inchikey=oswpmrlsedhdff-uhfffaoysa-n}}
{{#set: molecular-weight=929.765}}
+
{{#set: molecular-weight=152.149}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPD-6442

  • common-name:
    • methylsalicylate
  • smiles:
    • coc(c1(c=cc=cc=1o))=o
  • inchi-key:
    • oswpmrlsedhdff-uhfffaoysa-n
  • molecular-weight:
    • 152.149

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality