Difference between revisions of "CPD-20680"

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(Created page with "Category:metabolite == Metabolite CPD1F-453 == * common-name: ** kaempferol-3-glucoside * smiles: ** c1(c=c(o)c=cc=1c3(oc4(c=c([o-])c=c(o)c(c(=o)c(oc2(oc(co)c(o)c(o)c(o)2)...")
(Created page with "Category:metabolite == Metabolite CPD-13888 == * common-name: ** (25s)-26-oxocholest-4-en-3-one * smiles: ** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2c...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD1F-453 ==
+
== Metabolite CPD-13888 ==
 
* common-name:
 
* common-name:
** kaempferol-3-glucoside
+
** (25s)-26-oxocholest-4-en-3-one
 
* smiles:
 
* smiles:
** c1(c=c(o)c=cc=1c3(oc4(c=c([o-])c=c(o)c(c(=o)c(oc2(oc(co)c(o)c(o)c(o)2))=3)=4)))
+
** cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** jpukweqwgbddqb-qsofnflrsa-m
+
** bggfpzprxrjkgg-nyjsjaolsa-n
 
* molecular-weight:
 
* molecular-weight:
** 447.374
+
** 398.628
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12849]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN1F-461]]
+
* [[RXN-12850]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=kaempferol-3-glucoside}}
+
{{#set: common-name=(25s)-26-oxocholest-4-en-3-one}}
{{#set: inchi-key=inchikey=jpukweqwgbddqb-qsofnflrsa-m}}
+
{{#set: inchi-key=inchikey=bggfpzprxrjkgg-nyjsjaolsa-n}}
{{#set: molecular-weight=447.374}}
+
{{#set: molecular-weight=398.628}}

Revision as of 11:14, 15 January 2021

Metabolite CPD-13888

  • common-name:
    • (25s)-26-oxocholest-4-en-3-one
  • smiles:
    • cc([ch]=o)cccc(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
  • inchi-key:
    • bggfpzprxrjkgg-nyjsjaolsa-n
  • molecular-weight:
    • 398.628

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality