Difference between revisions of "CPD-3618"

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(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...")
(Created page with "Category:metabolite == Metabolite CPD-3618 == * common-name: ** 2-oxovalerate * smiles: ** cccc(=o)c(=o)[o-] * inchi-key: ** kdvfrmmrzocfls-uhfffaoysa-m * molecular-weight...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-2752 ==
+
== Metabolite CPD-3618 ==
 
* common-name:
 
* common-name:
** trans-3-hydroxycotinine-glucuronide
+
** 2-oxovalerate
 
* smiles:
 
* 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))
+
** cccc(=o)c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** walnnkzughysct-mbwyjtgfsa-m
+
** kdvfrmmrzocfls-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 367.335
+
** 115.108
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-162]]
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* [[RXN-14986]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=trans-3-hydroxycotinine-glucuronide}}
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{{#set: common-name=2-oxovalerate}}
{{#set: inchi-key=inchikey=walnnkzughysct-mbwyjtgfsa-m}}
+
{{#set: inchi-key=inchikey=kdvfrmmrzocfls-uhfffaoysa-m}}
{{#set: molecular-weight=367.335}}
+
{{#set: molecular-weight=115.108}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-3618

  • common-name:
    • 2-oxovalerate
  • smiles:
    • cccc(=o)c(=o)[o-]
  • inchi-key:
    • kdvfrmmrzocfls-uhfffaoysa-m
  • molecular-weight:
    • 115.108

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality