Difference between revisions of "CPD-2742"

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(Created page with "Category:metabolite == Metabolite CPD-14422 == * common-name: ** 3-oxo-icosatrienoyl-coa * smiles: ** ccc=ccc=ccc=ccccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op...")
(Created page with "Category:metabolite == Metabolite CPD-2742 == * common-name: ** cotinine * smiles: ** c1(=o)(cc[ch](n(c)1)c2(c=nc=cc=2)) * inchi-key: ** uikrocxwunqspj-vifpvbqesa-n * mole...")
 
(6 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14422 ==
+
== Metabolite CPD-2742 ==
 
* common-name:
 
* common-name:
** 3-oxo-icosatrienoyl-coa
+
** cotinine
 
* smiles:
 
* smiles:
** ccc=ccc=ccc=ccccccccc(=o)cc(=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-]
+
** c1(=o)(cc[ch](n(c)1)c2(c=nc=cc=2))
 
* inchi-key:
 
* inchi-key:
** dfyfqqxxtclfng-ubqhhbpxsa-j
+
** uikrocxwunqspj-vifpvbqesa-n
 
* molecular-weight:
 
* molecular-weight:
** 1065.958
+
** 176.218
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12994]]
+
* [[RXN66-161]]
 +
* [[RXN66-163]]
 +
* [[RXN66-168]]
 +
* [[RXN66-169]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13441]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-icosatrienoyl-coa}}
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{{#set: common-name=cotinine}}
{{#set: inchi-key=inchikey=dfyfqqxxtclfng-ubqhhbpxsa-j}}
+
{{#set: inchi-key=inchikey=uikrocxwunqspj-vifpvbqesa-n}}
{{#set: molecular-weight=1065.958}}
+
{{#set: molecular-weight=176.218}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-2742

  • common-name:
    • cotinine
  • smiles:
    • c1(=o)(cc[ch](n(c)1)c2(c=nc=cc=2))
  • inchi-key:
    • uikrocxwunqspj-vifpvbqesa-n
  • molecular-weight:
    • 176.218

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality