Difference between revisions of "BENZOATE"

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(Created page with "Category:metabolite == Metabolite 4-TOLUENECARBOXYLATE == * common-name: ** 4-toluenecarboxylate * smiles: ** cc1(c=cc(=cc=1)c(=o)[o-]) * inchi-key: ** lpnbbfkouusudb-uhff...")
(Created page with "Category:metabolite == Metabolite BENZOATE == * common-name: ** benzoate * smiles: ** c(c1(c=cc=cc=1))([o-])=o * inchi-key: ** wpymklbdigxbtp-uhfffaoysa-m * molecular-weig...")
 
(5 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 4-TOLUENECARBOXYLATE ==
+
== Metabolite BENZOATE ==
 
* common-name:
 
* common-name:
** 4-toluenecarboxylate
+
** benzoate
 
* smiles:
 
* smiles:
** cc1(c=cc(=cc=1)c(=o)[o-])
+
** c(c1(c=cc=cc=1))([o-])=o
 
* inchi-key:
 
* inchi-key:
** lpnbbfkouusudb-uhfffaoysa-m
+
** wpymklbdigxbtp-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 135.142
+
** 121.115
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8582]]
+
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-toluenecarboxylate}}
+
{{#set: common-name=benzoate}}
{{#set: inchi-key=inchikey=lpnbbfkouusudb-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=wpymklbdigxbtp-uhfffaoysa-m}}
{{#set: molecular-weight=135.142}}
+
{{#set: molecular-weight=121.115}}

Latest revision as of 11:17, 18 March 2021

Metabolite BENZOATE

  • common-name:
    • benzoate
  • smiles:
    • c(c1(c=cc=cc=1))([o-])=o
  • inchi-key:
    • wpymklbdigxbtp-uhfffaoysa-m
  • molecular-weight:
    • 121.115

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality