Difference between revisions of "CPDMETA-13652"

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(Created page with "Category:metabolite == Metabolite CPD-13398 == * common-name: ** l-alanyl-l-leucine * smiles: ** cc(c)cc(c([o-])=o)nc(c(c)[n+])=o * inchi-key: ** rdikfprvljlmer-bqbzgakwsa...")
(Created page with "Category:metabolite == Metabolite CPDMETA-13652 == * common-name: ** raucaffrinoline * smiles: ** cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6))))) * i...")
 
(5 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-13398 ==
+
== Metabolite CPDMETA-13652 ==
 
* common-name:
 
* common-name:
** l-alanyl-l-leucine
+
** raucaffrinoline
 
* smiles:
 
* smiles:
** cc(c)cc(c([o-])=o)nc(c(c)[n+])=o
+
** cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6)))))
 
* inchi-key:
 
* inchi-key:
** rdikfprvljlmer-bqbzgakwsa-n
+
** ximpcxfldskalh-vqhwpedhsa-n
 
* molecular-weight:
 
* molecular-weight:
** 202.253
+
** 352.432
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN0-6979]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12673]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=l-alanyl-l-leucine}}
+
{{#set: common-name=raucaffrinoline}}
{{#set: inchi-key=inchikey=rdikfprvljlmer-bqbzgakwsa-n}}
+
{{#set: inchi-key=inchikey=ximpcxfldskalh-vqhwpedhsa-n}}
{{#set: molecular-weight=202.253}}
+
{{#set: molecular-weight=352.432}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPDMETA-13652

  • common-name:
    • raucaffrinoline
  • smiles:
    • cc3(n5(c2(c1(=nc6(=cc=cc=c(c41(c(c(c(c2)c(co)3)c(c4)5)oc(=o)c))6)))))
  • inchi-key:
    • ximpcxfldskalh-vqhwpedhsa-n
  • molecular-weight:
    • 352.432

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality