Difference between revisions of "BENZOATE"

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(Created page with "Category:metabolite == Metabolite CPD-10809 == * common-name: ** 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one * smiles: ** c(nc1(n=c(nc(=o)c(n)=1)n))c(o)c(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...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10809 ==
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== Metabolite BENZOATE ==
 
* common-name:
 
* common-name:
** 2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one
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** benzoate
 
* smiles:
 
* smiles:
** c(nc1(n=c(nc(=o)c(n)=1)n))c(o)c(o)c(o)cop([o-])(=o)[o-]
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** c(c1(c=cc=cc=1))([o-])=o
 
* inchi-key:
 
* inchi-key:
** acivvgbvovhfpq-rpdrrwsusa-l
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** wpymklbdigxbtp-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 353.228
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** 121.115
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14171]]
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* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10057]]
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* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
* [[RXN-14171]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2,5-diamino-6-(5-phospho-d-ribitylamino)pyrimidin-4(3h)-one}}
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{{#set: common-name=benzoate}}
{{#set: inchi-key=inchikey=acivvgbvovhfpq-rpdrrwsusa-l}}
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{{#set: inchi-key=inchikey=wpymklbdigxbtp-uhfffaoysa-m}}
{{#set: molecular-weight=353.228}}
+
{{#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