Difference between revisions of "BENZOATE"

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(Created page with "Category:metabolite == Metabolite ADENOSYLCOBINAMIDE == * common-name: ** adenosylcobinamide * smiles: ** c[ch](cnc(ccc4(c8(n3([co--]17([n+]5(c(=c(c)c2(=[n+]1c(c(c2ccc(n)=...")
(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...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ADENOSYLCOBINAMIDE ==
+
== Metabolite 4-TOLUENECARBOXYLATE ==
 
* common-name:
 
* common-name:
** adenosylcobinamide
+
** 4-toluenecarboxylate
 
* smiles:
 
* smiles:
** c[ch](cnc(ccc4(c8(n3([co--]17([n+]5(c(=c(c)c2(=[n+]1c(c(c2ccc(n)=o)(cc(=o)n)c)(c)[ch]3c(cc(=o)n)4))c(c(ccc(=o)n)c=5c=c6(c(c)(c)c(ccc(=o)n)c(=[n+]67)c=8c))(cc(=o)n)c))cc9(oc(c(o)c(o)9)n%11(c=nc%10(=c(n)n=cn=c%10%11))))))c)=o)o
+
** cc1(c=cc(=cc=1)c(=o)[o-])
 
* inchi-key:
 
* inchi-key:
** kqxspgaebzwhmc-vucsarqqsa-m
+
** lpnbbfkouusudb-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 1240.332
+
** 135.142
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BTUR2-RXN]]
+
* [[RXN-8582]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=adenosylcobinamide}}
+
{{#set: common-name=4-toluenecarboxylate}}
{{#set: inchi-key=inchikey=kqxspgaebzwhmc-vucsarqqsa-m}}
+
{{#set: inchi-key=inchikey=lpnbbfkouusudb-uhfffaoysa-m}}
{{#set: molecular-weight=1240.332}}
+
{{#set: molecular-weight=135.142}}

Revision as of 15:00, 5 January 2021

Metabolite 4-TOLUENECARBOXYLATE

  • common-name:
    • 4-toluenecarboxylate
  • smiles:
    • cc1(c=cc(=cc=1)c(=o)[o-])
  • inchi-key:
    • lpnbbfkouusudb-uhfffaoysa-m
  • molecular-weight:
    • 135.142

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality