Difference between revisions of "CHOLATE"

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(Created page with "Category:metabolite == Metabolite CPD-3481 == * common-name: ** bupropion * smiles: ** cc([n+]c(c)(c)c)c(=o)c1(c=cc=c(cl)c=1) * inchi-key: ** snppwiuozrmyny-uhfffaoysa-o *...")
(Created page with "Category:metabolite == Metabolite LIPOIC-ACID == * common-name: ** (r)-lipoate * smiles: ** c(ccc(=o)[o-])cc1(ccss1) * inchi-key: ** agbqknbqesqnjd-ssdottswsa-m * molecula...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-3481 ==
+
== Metabolite LIPOIC-ACID ==
 
* common-name:
 
* common-name:
** bupropion
+
** (r)-lipoate
 
* smiles:
 
* smiles:
** cc([n+]c(c)(c)c)c(=o)c1(c=cc=c(cl)c=1)
+
** c(ccc(=o)[o-])cc1(ccss1)
 
* inchi-key:
 
* inchi-key:
** snppwiuozrmyny-uhfffaoysa-o
+
** agbqknbqesqnjd-ssdottswsa-m
 
* molecular-weight:
 
* molecular-weight:
** 240.752
+
** 205.309
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-181]]
+
* [[RXN-17127]]
 +
* [[RXN-8654]]
 +
* [[RXN0-1141]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=bupropion}}
+
{{#set: common-name=(r)-lipoate}}
{{#set: inchi-key=inchikey=snppwiuozrmyny-uhfffaoysa-o}}
+
{{#set: inchi-key=inchikey=agbqknbqesqnjd-ssdottswsa-m}}
{{#set: molecular-weight=240.752}}
+
{{#set: molecular-weight=205.309}}

Revision as of 11:17, 15 January 2021

Metabolite LIPOIC-ACID

  • common-name:
    • (r)-lipoate
  • smiles:
    • c(ccc(=o)[o-])cc1(ccss1)
  • inchi-key:
    • agbqknbqesqnjd-ssdottswsa-m
  • molecular-weight:
    • 205.309

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality