Difference between revisions of "CPD-9955"

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(Created page with "Category:metabolite == Metabolite CPD-511 == * common-name: ** pantetheine * smiles: ** cc(c(o)c(=o)nccc(nccs)=o)(c)co * inchi-key: ** znxzgrmvnnhpca-vifpvbqesa-n * molecu...")
(Created page with "Category:metabolite == Metabolite CPD-2752 == * common-name: ** trans-3-hydroxycotinine-glucuronide * smiles: ** c2(=o)(c(oc1(c(c(c(c(o1)c([o-])=o)o)o)o))c[ch](n(c)2)c3(=c...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-511 ==
+
== Metabolite CPD-2752 ==
 
* common-name:
 
* common-name:
** pantetheine
+
** trans-3-hydroxycotinine-glucuronide
 
* smiles:
 
* smiles:
** cc(c(o)c(=o)nccc(nccs)=o)(c)co
+
** c2(=o)(c(oc1(c(c(c(c(o1)c([o-])=o)o)o)o))c[ch](n(c)2)c3(=cn=cc=c3))
 
* inchi-key:
 
* inchi-key:
** znxzgrmvnnhpca-vifpvbqesa-n
+
** walnnkzughysct-mbwyjtgfsa-m
 
* molecular-weight:
 
* molecular-weight:
** 278.366
+
** 367.335
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[PANTETHEINE-KINASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PANTETHEINE-KINASE-RXN]]
+
* [[RXN66-162]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=pantetheine}}
+
{{#set: common-name=trans-3-hydroxycotinine-glucuronide}}
{{#set: inchi-key=inchikey=znxzgrmvnnhpca-vifpvbqesa-n}}
+
{{#set: inchi-key=inchikey=walnnkzughysct-mbwyjtgfsa-m}}
{{#set: molecular-weight=278.366}}
+
{{#set: molecular-weight=367.335}}

Revision as of 18:54, 14 January 2021

Metabolite CPD-2752

  • common-name:
    • trans-3-hydroxycotinine-glucuronide
  • smiles:
    • c2(=o)(c(oc1(c(c(c(c(o1)c([o-])=o)o)o)o))c[ch](n(c)2)c3(=cn=cc=c3))
  • inchi-key:
    • walnnkzughysct-mbwyjtgfsa-m
  • molecular-weight:
    • 367.335

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality