Difference between revisions of "CPD-13081"

From metabolic_network
Jump to navigation Jump to search
(Created page with "Category:metabolite == Metabolite CPD-8614 == * common-name: ** 4α-methyl-5α-cholesta-8-en-3-one * smiles: ** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](c...")
(Created page with "Category:metabolite == Metabolite CPD-13081 == * common-name: ** solasodine 3-o-β-d-glucoside * smiles: ** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(...")
 
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-8614 ==
+
== Metabolite CPD-13081 ==
 
* common-name:
 
* common-name:
** 4α-methyl-5α-cholesta-8-en-3-one
+
** solasodine 3-o-β-d-glucoside
 
* smiles:
 
* smiles:
** cc(c)cccc([ch]4(c1(c)([ch](c2(=c(cc1)c3(c)([ch](cc2)c(c)c(=o)cc3)))cc4)))c
+
** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(c)5ccc(oc6(oc(co)c(o)c(o)c(o)6))c7))))))
 
* inchi-key:
 
* inchi-key:
** sdzuxffgoqzlpk-sinuoacosa-n
+
** xmlljghzphtukk-kjnrmupvsa-n
 
* molecular-weight:
 
* molecular-weight:
** 398.671
+
** 575.784
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-19]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-18]]
+
* [[RXN-12123]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4α-methyl-5α-cholesta-8-en-3-one}}
+
{{#set: common-name=solasodine 3-o-β-d-glucoside}}
{{#set: inchi-key=inchikey=sdzuxffgoqzlpk-sinuoacosa-n}}
+
{{#set: inchi-key=inchikey=xmlljghzphtukk-kjnrmupvsa-n}}
{{#set: molecular-weight=398.671}}
+
{{#set: molecular-weight=575.784}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-13081

  • common-name:
    • solasodine 3-o-β-d-glucoside
  • smiles:
    • cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(c)5ccc(oc6(oc(co)c(o)c(o)c(o)6))c7))))))
  • inchi-key:
    • xmlljghzphtukk-kjnrmupvsa-n
  • molecular-weight:
    • 575.784

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality