Difference between revisions of "CPDQT-27"

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(Created page with "Category:metabolite == Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD == * common-name: ** pelargonidin-3-o-β-d-glucoside * smiles: ** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([...")
(Created page with "Category:metabolite == Metabolite CPDQT-27 == * common-name: ** 6-(methylthio)-2-oxohexanoate * smiles: ** csccccc(=o)c([o-])=o * inchi-key: ** grugzhaoxopasc-uhfffaoysa-m...")
 
(4 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD ==
+
== Metabolite CPDQT-27 ==
 
* common-name:
 
* common-name:
** pelargonidin-3-o-β-d-glucoside
+
** 6-(methylthio)-2-oxohexanoate
 
* smiles:
 
* smiles:
** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
+
** csccccc(=o)c([o-])=o
 
* inchi-key:
 
* inchi-key:
** abvcubuixwjyse-gqupqbgvsa-m
+
** grugzhaoxopasc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 431.375
+
** 175.222
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7828]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXNQT-4165]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=pelargonidin-3-o-β-d-glucoside}}
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{{#set: common-name=6-(methylthio)-2-oxohexanoate}}
{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
+
{{#set: inchi-key=inchikey=grugzhaoxopasc-uhfffaoysa-m}}
{{#set: molecular-weight=431.375}}
+
{{#set: molecular-weight=175.222}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPDQT-27

  • common-name:
    • 6-(methylthio)-2-oxohexanoate
  • smiles:
    • csccccc(=o)c([o-])=o
  • inchi-key:
    • grugzhaoxopasc-uhfffaoysa-m
  • molecular-weight:
    • 175.222

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality