Difference between revisions of "CPD-8653"

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(Created page with "Category:metabolite == Metabolite CPD-1823 == * common-name: ** nπ-methyl-l-histidine * smiles: ** cn1(c=nc=c1cc(c(=o)[o-])[n+]) * inchi-key: ** jdhildinmrgule-lurjtmie...")
(Created page with "Category:metabolite == Metabolite CPD-8653 == * common-name: ** betanidin * smiles: ** c(=[n+]1(c(c([o-])=o)cc2(=c1c=c(o)c(o)=c2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3) * in...")
 
(One intermediate revision by the same user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-1823 ==
+
== Metabolite CPD-8653 ==
 
* common-name:
 
* common-name:
** nπ-methyl-l-histidine
+
** betanidin
 
* smiles:
 
* smiles:
** cn1(c=nc=c1cc(c(=o)[o-])[n+])
+
** c(=[n+]1(c(c([o-])=o)cc2(=c1c=c(o)c(o)=c2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3)
 
* inchi-key:
 
* inchi-key:
** jdhildinmrgule-lurjtmiesa-n
+
** xhjkhsxhwjcblx-aaeuagobsa-l
 
* molecular-weight:
 
* molecular-weight:
** 169.183
+
** 386.317
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8635]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[X-METHYL-HIS-DIPEPTIDASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=nπ-methyl-l-histidine}}
+
{{#set: common-name=betanidin}}
{{#set: inchi-key=inchikey=jdhildinmrgule-lurjtmiesa-n}}
+
{{#set: inchi-key=inchikey=xhjkhsxhwjcblx-aaeuagobsa-l}}
{{#set: molecular-weight=169.183}}
+
{{#set: molecular-weight=386.317}}

Latest revision as of 11:12, 18 March 2021

Metabolite CPD-8653

  • common-name:
    • betanidin
  • smiles:
    • c(=[n+]1(c(c([o-])=o)cc2(=c1c=c(o)c(o)=c2)))c=c3(c=c(c(=o)[o-])nc(c([o-])=o)c3)
  • inchi-key:
    • xhjkhsxhwjcblx-aaeuagobsa-l
  • molecular-weight:
    • 386.317

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality