Difference between revisions of "CPD-224"

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(Created page with "Category:metabolite == Metabolite CPD-714 == * common-name: ** cathasterone * smiles: ** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34)))) *...")
(Created page with "Category:metabolite == Metabolite CPD-19489 == * common-name: ** 3-isopropyl-8-(methylthio)-2-oxooctanoate * smiles: ** cscccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: ** y...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-714 ==
+
== Metabolite CPD-19489 ==
 
* common-name:
 
* common-name:
** cathasterone
+
** 3-isopropyl-8-(methylthio)-2-oxooctanoate
 
* smiles:
 
* smiles:
** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+
** cscccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** jsvpgvhceqdjcz-vgehdtswsa-n
+
** yobcouzbifvtfn-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 432.685
+
** 246.278
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-18204]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-715]]
+
* [[RXN-18204]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=cathasterone}}
+
{{#set: common-name=3-isopropyl-8-(methylthio)-2-oxooctanoate}}
{{#set: inchi-key=inchikey=jsvpgvhceqdjcz-vgehdtswsa-n}}
+
{{#set: inchi-key=inchikey=yobcouzbifvtfn-uhfffaoysa-l}}
{{#set: molecular-weight=432.685}}
+
{{#set: molecular-weight=246.278}}

Revision as of 18:55, 14 January 2021

Metabolite CPD-19489

  • common-name:
    • 3-isopropyl-8-(methylthio)-2-oxooctanoate
  • smiles:
    • cscccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • yobcouzbifvtfn-uhfffaoysa-l
  • molecular-weight:
    • 246.278

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality