Difference between revisions of "CPDQT-39"

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(Created page with "Category:metabolite == Metabolite 4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON == * common-name: ** 4α-methyl-5α-cholest-7-en-3-one * smiles: ** cc(c)ccc[ch](c)[ch...")
(Created page with "Category:metabolite == Metabolite CPDQT-39 == * common-name: ** 3-[(6'-methylthio)hexyl]malate * smiles: ** csccccccc(c(o)c(=o)[o-])c(=o)[o-] * inchi-key: ** lqqzhlhcfscjc...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON ==
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== Metabolite CPDQT-39 ==
 
* common-name:
 
* common-name:
** 4α-methyl-5α-cholest-7-en-3-one
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** 3-[(6'-methylthio)hexyl]malate
 
* smiles:
 
* smiles:
** cc(c)ccc[ch](c)[ch]3(cc[ch]4(c2(=cc[ch]1(c(c)c(=o)ccc(c)1[ch]2ccc(c)34))))
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** csccccccc(c(o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** owkgvpxwohltsl-liujfmqasa-n
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** lqqzhlhcfscjcu-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 398.671
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** 262.32
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.1.1.170-RXN]]
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* [[RXN-18202]]
* [[1.1.1.270-RXN]]
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* [[RXNQT-4174]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.1.1.170-RXN]]
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* [[RXN-18202]]
* [[1.1.1.270-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4α-methyl-5α-cholest-7-en-3-one}}
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{{#set: common-name=3-[(6'-methylthio)hexyl]malate}}
{{#set: inchi-key=inchikey=owkgvpxwohltsl-liujfmqasa-n}}
+
{{#set: inchi-key=inchikey=lqqzhlhcfscjcu-uhfffaoysa-l}}
{{#set: molecular-weight=398.671}}
+
{{#set: molecular-weight=262.32}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPDQT-39

  • common-name:
    • 3-[(6'-methylthio)hexyl]malate
  • smiles:
    • csccccccc(c(o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • lqqzhlhcfscjcu-uhfffaoysa-l
  • molecular-weight:
    • 262.32

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

Property "Common-name" (as page type) with input value "3-[(6'-methylthio)hexyl]malate" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.