Difference between revisions of "CPD-11409"

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(Created page with "Category:metabolite == Metabolite ZN+2 == * common-name: ** zn2+ * smiles: ** [zn++] * inchi-key: ** ptfcdoflopiggs-uhfffaoysa-n * molecular-weight: ** 65.38 == Reaction(s...")
(Created page with "Category:metabolite == Metabolite CPD-9460 == * common-name: ** oleanolate 3 β-d-glucuronoside * smiles: ** cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ZN+2 ==
+
== Metabolite CPD-9460 ==
 
* common-name:
 
* common-name:
** zn2+
+
** oleanolate 3 β-d-glucuronoside
 
* smiles:
 
* smiles:
** [zn++]
+
** cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(c(c(o4)c(=o)[o-])o)o)o))c))c))[ch]5c6)c)c(=o)[o-])c
 
* inchi-key:
 
* inchi-key:
** ptfcdoflopiggs-uhfffaoysa-n
+
** iuchkmazawjnbj-rcyxvvtdsa-l
 
* molecular-weight:
 
* molecular-weight:
** 65.38
+
** 630.817
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ExchangeSeed-ZN+2]]
 
* [[TransportSeed-ZN+2]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ExchangeSeed-ZN+2]]
+
* [[RXN-9000]]
* [[TransportSeed-ZN+2]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=zn2+}}
+
{{#set: common-name=oleanolate 3 β-d-glucuronoside}}
{{#set: inchi-key=inchikey=ptfcdoflopiggs-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=iuchkmazawjnbj-rcyxvvtdsa-l}}
{{#set: molecular-weight=65.38}}
+
{{#set: molecular-weight=630.817}}

Revision as of 11:13, 15 January 2021

Metabolite CPD-9460

  • common-name:
    • oleanolate 3 β-d-glucuronoside
  • smiles:
    • cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(c(c(o4)c(=o)[o-])o)o)o))c))c))[ch]5c6)c)c(=o)[o-])c
  • inchi-key:
    • iuchkmazawjnbj-rcyxvvtdsa-l
  • molecular-weight:
    • 630.817

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality