Difference between revisions of "CPD-8082"

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(Created page with "Category:metabolite == Metabolite L-PANTOATE == * common-name: ** (r)-pantoate * smiles: ** cc(c)(co)c(c([o-])=o)o * inchi-key: ** otoiipjyvqjatp-bypyzucnsa-m * molecular-...")
(Created page with "Category:metabolite == Metabolite CPDQT-37 == * common-name: ** 3-[(4'-methylthio)butyl]malate * smiles: ** csccccc(c(o)c(=o)[o-])c(=o)[o-] * inchi-key: ** zizldvklmyvmnx-...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite L-PANTOATE ==
+
== Metabolite CPDQT-37 ==
 
* common-name:
 
* common-name:
** (r)-pantoate
+
** 3-[(4'-methylthio)butyl]malate
 
* smiles:
 
* smiles:
** cc(c)(co)c(c([o-])=o)o
+
** csccccc(c(o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** otoiipjyvqjatp-bypyzucnsa-m
+
** zizldvklmyvmnx-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 147.15
+
** 234.267
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[PANTOATE-BETA-ALANINE-LIG-RXN]]
+
* [[RXN-18206]]
 +
* [[RXNQT-4168]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
+
* [[RXN-18206]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(r)-pantoate}}
+
{{#set: common-name=3-[(4'-methylthio)butyl]malate}}
{{#set: inchi-key=inchikey=otoiipjyvqjatp-bypyzucnsa-m}}
+
{{#set: inchi-key=inchikey=zizldvklmyvmnx-uhfffaoysa-l}}
{{#set: molecular-weight=147.15}}
+
{{#set: molecular-weight=234.267}}

Revision as of 11:14, 15 January 2021

Metabolite CPDQT-37

  • common-name:
    • 3-[(4'-methylthio)butyl]malate
  • smiles:
    • csccccc(c(o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • zizldvklmyvmnx-uhfffaoysa-l
  • molecular-weight:
    • 234.267

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-[(4'-methylthio)butyl]malate" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.