Difference between revisions of "CPD-19487"

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(Created page with "Category:metabolite == Metabolite TARTRONATE-S-ALD == * common-name: ** tartronate semialdehyde * smiles: ** [ch](=o)c(o)c(=o)[o-] * inchi-key: ** qwbafpfngrfsfb-uhfffaoys...")
(Created page with "Category:metabolite == Metabolite CPD-19487 == * common-name: ** 3-isopropyl-10-(methylthio)-2-oxodecanoate * smiles: ** cscccccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: *...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite TARTRONATE-S-ALD ==
+
== Metabolite CPD-19487 ==
 
* common-name:
 
* common-name:
** tartronate semialdehyde
+
** 3-isopropyl-10-(methylthio)-2-oxodecanoate
 
* smiles:
 
* smiles:
** [ch](=o)c(o)c(=o)[o-]
+
** cscccccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** qwbafpfngrfsfb-uhfffaoysa-m
+
** ukhzbtwecwuvph-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 103.054
+
** 274.331
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN0-5289]]
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* [[RXN-18200]]
* [[TSA-REDUCT-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN0-5289]]
+
* [[RXN-18200]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=tartronate semialdehyde}}
+
{{#set: common-name=3-isopropyl-10-(methylthio)-2-oxodecanoate}}
{{#set: inchi-key=inchikey=qwbafpfngrfsfb-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=ukhzbtwecwuvph-uhfffaoysa-l}}
{{#set: molecular-weight=103.054}}
+
{{#set: molecular-weight=274.331}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-19487

  • common-name:
    • 3-isopropyl-10-(methylthio)-2-oxodecanoate
  • smiles:
    • cscccccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • ukhzbtwecwuvph-uhfffaoysa-l
  • molecular-weight:
    • 274.331

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality