Difference between revisions of "SJ09656"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] == * common-name: ** betanidin quinone * smiles: ** c(=[n+]1(c(c([o-])=o)cc2...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-39 CPDQT-39] == * common-name: ** 3-[(6'-methylthio)hexyl]malate * smiles: ** csccccccc(c...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-39 CPDQT-39] ==
 
* common-name:
 
* common-name:
** betanidin quinone
+
** 3-[(6'-methylthio)hexyl]malate
 
* smiles:
 
* smiles:
** c(=[n+]1(c(c([o-])=o)cc2(c1=cc(=o)c(=o)c=2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3)
+
** csccccccc(c(o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** mcthlmsflmebek-aaeuagobsa-l
+
** lqqzhlhcfscjcu-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 384.301
+
** 262.32
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-18202]]
 +
* [[RXNQT-4174]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8635]]
+
* [[RXN-18202]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=betanidin quinone}}
+
{{#set: common-name=3-[(6'-methylthio)hexyl]malate}}
{{#set: inchi-key=inchikey=mcthlmsflmebek-aaeuagobsa-l}}
+
{{#set: inchi-key=inchikey=lqqzhlhcfscjcu-uhfffaoysa-l}}
{{#set: molecular-weight=384.301}}
+
{{#set: molecular-weight=262.32}}

Revision as of 09:23, 27 August 2019

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.