Difference between revisions of "CPD-19488"

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(Created page with "Category:metabolite == Metabolite CPD-293 == * common-name: ** 5-α-pregnane-3,20-dione * smiles: ** cc(=o)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34))))...")
(Created page with "Category:metabolite == Metabolite CPD-19488 == * common-name: ** 3-isopropyl-9-(methylthio)-2-oxononanoate * smiles: ** csccccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: **...")
 
(One intermediate revision by one other user not shown)
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-293 ==
+
== Metabolite CPD-19488 ==
 
* common-name:
 
* common-name:
** 5-α-pregnane-3,20-dione
+
** 3-isopropyl-9-(methylthio)-2-oxononanoate
 
* smiles:
 
* smiles:
** cc(=o)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34))))
+
** csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** xmrpgkvkisiqbv-bjmcwzgwsa-n
+
** pbyokogrhhzthq-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 316.483
+
** 260.304
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-18202]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PROGESTERONE-5-ALPHA-REDUCTASE-RXN]]
+
* [[RXN-18202]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5-α-pregnane-3,20-dione}}
+
{{#set: common-name=3-isopropyl-9-(methylthio)-2-oxononanoate}}
{{#set: inchi-key=inchikey=xmrpgkvkisiqbv-bjmcwzgwsa-n}}
+
{{#set: inchi-key=inchikey=pbyokogrhhzthq-uhfffaoysa-l}}
{{#set: molecular-weight=316.483}}
+
{{#set: molecular-weight=260.304}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPD-19488

  • common-name:
    • 3-isopropyl-9-(methylthio)-2-oxononanoate
  • smiles:
    • csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • pbyokogrhhzthq-uhfffaoysa-l
  • molecular-weight:
    • 260.304

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality