Difference between revisions of "BENZOYLSUCCINYL-COA"

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(Created page with "Category:metabolite == Metabolite CPD-17403 == * common-name: ** (2e,11z,17z)-14r-hydroxy-icosa-11,17-trienoyl-coa * smiles: ** ccc=cccc(o)cc=ccccccccc=cc(=o)sccnc(=o)ccnc...")
(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...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-17403 ==
+
== Metabolite CPD-8653 ==
 
* common-name:
 
* common-name:
** (2e,11z,17z)-14r-hydroxy-icosa-11,17-trienoyl-coa
+
** betanidin
 
* smiles:
 
* smiles:
** ccc=cccc(o)cc=ccccccccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+
** 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:
** gccbkkqiemqvgw-pkayedjnsa-j
+
** xhjkhsxhwjcblx-aaeuagobsa-l
 
* molecular-weight:
 
* molecular-weight:
** 1067.974
+
** 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 ==
* [[RXN-16155]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2e,11z,17z)-14r-hydroxy-icosa-11,17-trienoyl-coa}}
+
{{#set: common-name=betanidin}}
{{#set: inchi-key=inchikey=gccbkkqiemqvgw-pkayedjnsa-j}}
+
{{#set: inchi-key=inchikey=xhjkhsxhwjcblx-aaeuagobsa-l}}
{{#set: molecular-weight=1067.974}}
+
{{#set: molecular-weight=386.317}}

Revision as of 15:25, 5 January 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