Difference between revisions of "4-TOLUENECARBOXYLATE"

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(Created page with "Category:metabolite == Metabolite CPD-15362 == * common-name: ** (2e,11z)-icosa-2,11-dienoyl-coa * smiles: ** ccccccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)...")
(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 CPD-15362 ==
+
== Metabolite 4-TOLUENECARBOXYLATE ==
 
* common-name:
 
* common-name:
** (2e,11z)-icosa-2,11-dienoyl-coa
+
** 4-toluenecarboxylate
 
* smiles:
 
* smiles:
** ccccccccc=ccccccccc=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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** cc1(c=cc(=cc=1)c(=o)[o-])
 
* inchi-key:
 
* inchi-key:
** laeceuxzoonxdy-nwgwhigpsa-j
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** lpnbbfkouusudb-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 1053.99
+
** 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 ==
* [[RXN-14485]]
+
* [[RXN-8582]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2e,11z)-icosa-2,11-dienoyl-coa}}
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{{#set: common-name=4-toluenecarboxylate}}
{{#set: inchi-key=inchikey=laeceuxzoonxdy-nwgwhigpsa-j}}
+
{{#set: inchi-key=inchikey=lpnbbfkouusudb-uhfffaoysa-m}}
{{#set: molecular-weight=1053.99}}
+
{{#set: molecular-weight=135.142}}

Latest revision as of 11:17, 18 March 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