Difference between revisions of "CPD-12860"

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(Created page with "Category:metabolite == Metabolite CPD-10664 == * common-name: ** 5-methylsalicylate * smiles: ** cc1(=cc(=c(c=c1)o)c([o-])=o) * inchi-key: ** dlgbegbhxsaqoc-uhfffaoysa-m *...")
(Created page with "Category:metabolite == Metabolite CPD-12860 == * common-name: ** 4α-methyl-5α-cholesta-7,24-dien-3β-ol * inchi-key: ** mupkqzrbzsoulx-sponxpensa-n * molec...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10664 ==
+
== Metabolite CPD-12860 ==
 
* common-name:
 
* common-name:
** 5-methylsalicylate
+
** 4α-methyl-5α-cholesta-7,24-dien-3β-ol
* smiles:
 
** cc1(=cc(=c(c=c1)o)c([o-])=o)
 
 
* inchi-key:
 
* inchi-key:
** dlgbegbhxsaqoc-uhfffaoysa-m
+
** mupkqzrbzsoulx-sponxpensa-n
 
* molecular-weight:
 
* molecular-weight:
** 151.141
+
** 398.671
 +
* smiles:
 +
** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10079]]
+
* [[RXN-21833]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5-methylsalicylate}}
+
{{#set: common-name=4α-methyl-5α-cholesta-7,24-dien-3β-ol}}
{{#set: inchi-key=inchikey=dlgbegbhxsaqoc-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=mupkqzrbzsoulx-sponxpensa-n}}
{{#set: molecular-weight=151.141}}
+
{{#set: molecular-weight=398.671}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPD-12860

  • common-name:
    • 4α-methyl-5α-cholesta-7,24-dien-3β-ol
  • inchi-key:
    • mupkqzrbzsoulx-sponxpensa-n
  • molecular-weight:
    • 398.671
  • smiles:
    • cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality