Difference between revisions of "CPD-181"

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(Created page with "Category:metabolite == Metabolite 3-7-DIMETHYLXANTHINE == * common-name: ** theobromine * smiles: ** cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2)) * inchi-key: ** yapqbxqyljrxsa-uhfff...")
(Created page with "Category:metabolite == Metabolite CPD-181 == * common-name: ** 4-methylumbelliferyl acetate * smiles: ** cc2(=cc(oc1(=c(c=cc(oc(=o)c)=c1)2))=o) * inchi-key: ** hxvzgascdag...")
 
(5 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 3-7-DIMETHYLXANTHINE ==
+
== Metabolite CPD-181 ==
 
* common-name:
 
* common-name:
** theobromine
+
** 4-methylumbelliferyl acetate
 
* smiles:
 
* smiles:
** cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
+
** cc2(=cc(oc1(=c(c=cc(oc(=o)c)=c1)2))=o)
 
* inchi-key:
 
* inchi-key:
** yapqbxqyljrxsa-uhfffaoysa-n
+
** hxvzgascdagaps-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 180.166
+
** 218.209
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11519]]
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* [[3.1.1.56-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=theobromine}}
+
{{#set: common-name=4-methylumbelliferyl acetate}}
{{#set: inchi-key=inchikey=yapqbxqyljrxsa-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=hxvzgascdagaps-uhfffaoysa-n}}
{{#set: molecular-weight=180.166}}
+
{{#set: molecular-weight=218.209}}

Latest revision as of 11:11, 18 March 2021

Metabolite CPD-181

  • common-name:
    • 4-methylumbelliferyl acetate
  • smiles:
    • cc2(=cc(oc1(=c(c=cc(oc(=o)c)=c1)2))=o)
  • inchi-key:
    • hxvzgascdagaps-uhfffaoysa-n
  • molecular-weight:
    • 218.209

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality