Difference between revisions of "CPD-11020"

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(Created page with "Category:metabolite == Metabolite CPD-108 == * common-name: ** 4-methylphenol * smiles: ** cc1(c=cc(=cc=1)o) * inchi-key: ** iwdclrjobjjrnh-uhfffaoysa-n * molecular-weight...")
(Created page with "Category:metabolite == Metabolite CPD-11020 == * common-name: ** 5-chloro-4-hydroxy-2-oxopentanoate * smiles: ** c(=o)([o-])c(=o)cc(o)ccl * inchi-key: ** fhwphvigzzaxiq-vk...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-108 ==
+
== Metabolite CPD-11020 ==
 
* common-name:
 
* common-name:
** 4-methylphenol
+
** 5-chloro-4-hydroxy-2-oxopentanoate
 
* smiles:
 
* smiles:
** cc1(c=cc(=cc=1)o)
+
** c(=o)([o-])c(=o)cc(o)ccl
 
* inchi-key:
 
* inchi-key:
** iwdclrjobjjrnh-uhfffaoysa-n
+
** fhwphvigzzaxiq-vkhmyheasa-m
 
* molecular-weight:
 
* molecular-weight:
** 108.14
+
** 165.553
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15588]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11319]]
+
* [[RXN-11717]]
* [[RXN-15588]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-methylphenol}}
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{{#set: common-name=5-chloro-4-hydroxy-2-oxopentanoate}}
{{#set: inchi-key=inchikey=iwdclrjobjjrnh-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=fhwphvigzzaxiq-vkhmyheasa-m}}
{{#set: molecular-weight=108.14}}
+
{{#set: molecular-weight=165.553}}

Latest revision as of 11:11, 18 March 2021

Metabolite CPD-11020

  • common-name:
    • 5-chloro-4-hydroxy-2-oxopentanoate
  • smiles:
    • c(=o)([o-])c(=o)cc(o)ccl
  • inchi-key:
    • fhwphvigzzaxiq-vkhmyheasa-m
  • molecular-weight:
    • 165.553

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality