Difference between revisions of "CPD-18238"

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(Created page with "Category:metabolite == Metabolite CPD-15661 == * common-name: ** 2-trans, 4-trans-undecadienoyl-coa * smiles: ** ccccccc=cc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o...")
(Created page with "Category:metabolite == Metabolite CPD-16825 == * common-name: ** (s)-equol 4'-sulfate * smiles: ** c1(c=c(c=c2(occ(cc=12)c3(c=cc(=cc=3)os([o-])(=o)=o)))o) * inchi-key: **...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15661 ==
+
== Metabolite CPD-16825 ==
 
* common-name:
 
* common-name:
** 2-trans, 4-trans-undecadienoyl-coa
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** (s)-equol 4'-sulfate
 
* smiles:
 
* smiles:
** ccccccc=cc=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-]
+
** c1(c=c(c=c2(occ(cc=12)c3(c=cc(=cc=3)os([o-])(=o)=o)))o)
 
* inchi-key:
 
* inchi-key:
** szkpluulggerfd-msnzeopqsa-j
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** uxojwgsgkuymia-gfccvegcsa-m
 
* molecular-weight:
 
* molecular-weight:
** 927.749
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** 321.324
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14790]]
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* [[RXN-15589]]
* [[RXN-14791]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14789]]
+
* [[RXN-15589]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-trans, 4-trans-undecadienoyl-coa}}
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{{#set: common-name=(s)-equol 4'-sulfate}}
{{#set: inchi-key=inchikey=szkpluulggerfd-msnzeopqsa-j}}
+
{{#set: inchi-key=inchikey=uxojwgsgkuymia-gfccvegcsa-m}}
{{#set: molecular-weight=927.749}}
+
{{#set: molecular-weight=321.324}}

Revision as of 08:31, 15 March 2021

Metabolite CPD-16825

  • common-name:
    • (s)-equol 4'-sulfate
  • smiles:
    • c1(c=c(c=c2(occ(cc=12)c3(c=cc(=cc=3)os([o-])(=o)=o)))o)
  • inchi-key:
    • uxojwgsgkuymia-gfccvegcsa-m
  • molecular-weight:
    • 321.324

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality