Difference between revisions of "CPD-14485"

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(Created page with "Category:metabolite == Metabolite CPD-108 == * common-name: ** 4-methylphenol * smiles: ** cc1(c=cc(=cc=1)o) * inchi-key: ** iwdclrjobjjrnh-uhfffaoysa-n * molecular-weight...")
(Created page with "Category:metabolite == Metabolite CPD-11552 == * common-name: ** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate * smiles: ** c(=o)([o-])c(=o)cc(=o)c1(c=cc=c(o)c(n)=1) * in...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-108 ==
+
== Metabolite CPD-11552 ==
 
* common-name:
 
* common-name:
** 4-methylphenol
+
** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
 
* smiles:
 
* smiles:
** cc1(c=cc(=cc=1)o)
+
** c(=o)([o-])c(=o)cc(=o)c1(c=cc=c(o)c(n)=1)
 
* inchi-key:
 
* inchi-key:
** iwdclrjobjjrnh-uhfffaoysa-n
+
** ycjnyhccoxvyaf-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 108.14
+
** 222.177
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15588]]
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* [[RXN-10721]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11319]]
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* [[RXN-10721]]
* [[RXN-15588]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-methylphenol}}
+
{{#set: common-name=4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate}}
{{#set: inchi-key=inchikey=iwdclrjobjjrnh-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=ycjnyhccoxvyaf-uhfffaoysa-m}}
{{#set: molecular-weight=108.14}}
+
{{#set: molecular-weight=222.177}}

Revision as of 13:07, 14 January 2021

Metabolite CPD-11552

  • common-name:
    • 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
  • smiles:
    • c(=o)([o-])c(=o)cc(=o)c1(c=cc=c(o)c(n)=1)
  • inchi-key:
    • ycjnyhccoxvyaf-uhfffaoysa-m
  • molecular-weight:
    • 222.177

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality