Difference between revisions of "3-7-DIMETHYLXANTHINE"

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(Created page with "Category:metabolite == Metabolite GLUTACONYL-COA == * common-name: ** (e)-glutaconyl-coa * smiles: ** cc(c)(c(o)c(=o)nccc(=o)nccsc(c=ccc(=o)[o-])=o)cop(=o)(op(=o)(occ1(c(o...")
(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...")
 
(6 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite GLUTACONYL-COA ==
+
== Metabolite 3-7-DIMETHYLXANTHINE ==
 
* common-name:
 
* common-name:
** (e)-glutaconyl-coa
+
** theobromine
 
* smiles:
 
* smiles:
** cc(c)(c(o)c(=o)nccc(=o)nccsc(c=ccc(=o)[o-])=o)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-]
+
** cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
 
* inchi-key:
 
* inchi-key:
** urtlotisfjppou-degqqwijsa-i
+
** yapqbxqyljrxsa-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 874.579
+
** 180.166
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
+
* [[RXN-11519]]
* [[GLUTARYL-COA-DEHYDROG-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[GLUTACONYL-COA-DECARBOXYLASE-RXN]]
 
* [[GLUTARYL-COA-DEHYDROG-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(e)-glutaconyl-coa}}
+
{{#set: common-name=theobromine}}
{{#set: inchi-key=inchikey=urtlotisfjppou-degqqwijsa-i}}
+
{{#set: inchi-key=inchikey=yapqbxqyljrxsa-uhfffaoysa-n}}
{{#set: molecular-weight=874.579}}
+
{{#set: molecular-weight=180.166}}

Latest revision as of 11:11, 18 March 2021

Metabolite 3-7-DIMETHYLXANTHINE

  • common-name:
    • theobromine
  • smiles:
    • cn2(c=nc1(=c(c(nc(n(c)1)=o)=o)2))
  • inchi-key:
    • yapqbxqyljrxsa-uhfffaoysa-n
  • molecular-weight:
    • 180.166

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality