Difference between revisions of "1-7-DIMETHYLXANTHINE"

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(Created page with "Category:metabolite == Metabolite CPD-12906 == * common-name: ** 5-methyl-3-oxo-4-hexenoyl-coa * smiles: ** cc(c)=cc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(oc...")
(Created page with "Category:metabolite == Metabolite 1-7-DIMETHYLXANTHINE == * common-name: ** paraxanthine * smiles: ** cn2(c=nc1(=c(c(n(c(n1)=o)c)=o)2)) * inchi-key: ** qunwudvfrngtco-uhff...")
 
(4 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-12906 ==
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== Metabolite 1-7-DIMETHYLXANTHINE ==
 
* common-name:
 
* common-name:
** 5-methyl-3-oxo-4-hexenoyl-coa
+
** paraxanthine
 
* smiles:
 
* smiles:
** cc(c)=cc(=o)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-]
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** cn2(c=nc1(=c(c(n(c(n1)=o)c)=o)2))
 
* inchi-key:
 
* inchi-key:
** zfkzvsujtdsjey-svhodsnwsa-j
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** qunwudvfrngtco-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 887.641
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** 180.166
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11921]]
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* [[RXN-11520]]
 
== 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=5-methyl-3-oxo-4-hexenoyl-coa}}
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{{#set: common-name=paraxanthine}}
{{#set: inchi-key=inchikey=zfkzvsujtdsjey-svhodsnwsa-j}}
+
{{#set: inchi-key=inchikey=qunwudvfrngtco-uhfffaoysa-n}}
{{#set: molecular-weight=887.641}}
+
{{#set: molecular-weight=180.166}}

Latest revision as of 11:11, 18 March 2021

Metabolite 1-7-DIMETHYLXANTHINE

  • common-name:
    • paraxanthine
  • smiles:
    • cn2(c=nc1(=c(c(n(c(n1)=o)c)=o)2))
  • inchi-key:
    • qunwudvfrngtco-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