Difference between revisions of "CPD-13174"

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(Created page with "Category:metabolite == Metabolite CPD-2751 == * common-name: ** 5'-hydroxycotinine * smiles: ** c1(=o)(ccc(o)(n(c)1)c2(=cn=cc=c2)) * inchi-key: ** bbnhnzgtkswihd-snvbaglbs...")
(Created page with "Category:metabolite == Metabolite CPD-14746 == * common-name: ** thiobenzoate * smiles: ** c(c1(c=cc=cc=1))(s)=o * inchi-key: ** uijgntrupzpvng-uhfffaoysa-n * molecular-we...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-2751 ==
+
== Metabolite CPD-14746 ==
 
* common-name:
 
* common-name:
** 5'-hydroxycotinine
+
** thiobenzoate
 
* smiles:
 
* smiles:
** c1(=o)(ccc(o)(n(c)1)c2(=cn=cc=c2))
+
** c(c1(c=cc=cc=1))(s)=o
 
* inchi-key:
 
* inchi-key:
** bbnhnzgtkswihd-snvbaglbsa-n
+
** uijgntrupzpvng-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 192.217
+
** 138.184
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13725]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-163]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5'-hydroxycotinine}}
+
{{#set: common-name=thiobenzoate}}
{{#set: inchi-key=inchikey=bbnhnzgtkswihd-snvbaglbsa-n}}
+
{{#set: inchi-key=inchikey=uijgntrupzpvng-uhfffaoysa-n}}
{{#set: molecular-weight=192.217}}
+
{{#set: molecular-weight=138.184}}

Revision as of 13:08, 14 January 2021

Metabolite CPD-14746

  • common-name:
    • thiobenzoate
  • smiles:
    • c(c1(c=cc=cc=1))(s)=o
  • inchi-key:
    • uijgntrupzpvng-uhfffaoysa-n
  • molecular-weight:
    • 138.184

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality