Difference between revisions of "CPD-11409"

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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-7836 == * common-name: ** myristate * smiles: ** cccccccccccccc([o-])=o * inchi-key: ** tunfsrhwotwdnc-uhfffaoysa-m * molecular-weigh...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 3-7-DIMETHYLXANTHINE ==
+
== Metabolite CPD-7836 ==
 
* common-name:
 
* common-name:
** theobromine
+
** myristate
 
* smiles:
 
* smiles:
** cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
+
** cccccccccccccc([o-])=o
 
* inchi-key:
 
* inchi-key:
** yapqbxqyljrxsa-uhfffaoysa-n
+
** tunfsrhwotwdnc-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 180.166
+
** 227.366
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11519]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10727]]
 +
* [[RXN-9626]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=theobromine}}
+
{{#set: common-name=myristate}}
{{#set: inchi-key=inchikey=yapqbxqyljrxsa-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=tunfsrhwotwdnc-uhfffaoysa-m}}
{{#set: molecular-weight=180.166}}
+
{{#set: molecular-weight=227.366}}

Revision as of 14:54, 5 January 2021

Metabolite CPD-7836

  • common-name:
    • myristate
  • smiles:
    • cccccccccccccc([o-])=o
  • inchi-key:
    • tunfsrhwotwdnc-uhfffaoysa-m
  • molecular-weight:
    • 227.366

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality