Difference between revisions of "BENZOATE"

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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 BENZOATE == * common-name: ** benzoate * smiles: ** c(c1(c=cc=cc=1))([o-])=o * inchi-key: ** wpymklbdigxbtp-uhfffaoysa-m * molecular-weig...")
 
(One intermediate revision by one other user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15362 ==
+
== Metabolite BENZOATE ==
 
* common-name:
 
* common-name:
** (2e,11z)-icosa-2,11-dienoyl-coa
+
** benzoate
 
* 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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** c(c1(c=cc=cc=1))([o-])=o
 
* inchi-key:
 
* inchi-key:
** laeceuxzoonxdy-nwgwhigpsa-j
+
** wpymklbdigxbtp-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 1053.99
+
** 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-14485]]
+
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2e,11z)-icosa-2,11-dienoyl-coa}}
+
{{#set: common-name=benzoate}}
{{#set: inchi-key=inchikey=laeceuxzoonxdy-nwgwhigpsa-j}}
+
{{#set: inchi-key=inchikey=wpymklbdigxbtp-uhfffaoysa-m}}
{{#set: molecular-weight=1053.99}}
+
{{#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