Difference between revisions of "3-oxo-arachidoyl-ACPs"

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(Created page with "Category:metabolite == Metabolite CPDQT-36 == * common-name: ** 3-[(3'-methylthio)propyl]malate * smiles: ** c(c(cccsc)c(o)c(=o)[o-])(=o)[o-] * inchi-key: ** sqxviiopmysnc...")
(Created page with "Category:metabolite == Metabolite CPD-8890 == * common-name: ** betanidin quinone * 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...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPDQT-36 ==
+
== Metabolite CPD-8890 ==
 
* common-name:
 
* common-name:
** 3-[(3'-methylthio)propyl]malate
+
** betanidin quinone
 
* smiles:
 
* smiles:
** c(c(cccsc)c(o)c(=o)[o-])(=o)[o-]
+
** 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)
 
* inchi-key:
 
* inchi-key:
** sqxviiopmysncp-uhfffaoysa-l
+
** mcthlmsflmebek-aaeuagobsa-l
 
* molecular-weight:
 
* molecular-weight:
** 220.24
+
** 384.301
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-18208]]
 
* [[RXNQT-4165]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-18208]]
+
* [[RXN-8635]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-[(3'-methylthio)propyl]malate}}
+
{{#set: common-name=betanidin quinone}}
{{#set: inchi-key=inchikey=sqxviiopmysncp-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=mcthlmsflmebek-aaeuagobsa-l}}
{{#set: molecular-weight=220.24}}
+
{{#set: molecular-weight=384.301}}

Revision as of 18:55, 14 January 2021

Metabolite CPD-8890

  • common-name:
    • betanidin quinone
  • 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)
  • inchi-key:
    • mcthlmsflmebek-aaeuagobsa-l
  • molecular-weight:
    • 384.301

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality