Difference between revisions of "CPD-464"

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(Created page with "Category:metabolite == Metabolite 2-ACETO-2-HYDROXY-BUTYRATE == * common-name: ** (s)-2-aceto-2-hydroxybutanoate * smiles: ** ccc(o)(c(=o)[o-])c(c)=o * inchi-key: ** vuqlh...")
(Created page with "Category:metabolite == Metabolite CPD-10576 == * common-name: ** 4-chlorosalicylate * smiles: ** c(c1(c=cc(cl)=cc=1o))([o-])=o * inchi-key: ** lwxfczxrfbuoor-uhfffaoysa-m...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-ACETO-2-HYDROXY-BUTYRATE ==
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== Metabolite CPD-10576 ==
 
* common-name:
 
* common-name:
** (s)-2-aceto-2-hydroxybutanoate
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** 4-chlorosalicylate
 
* smiles:
 
* smiles:
** ccc(o)(c(=o)[o-])c(c)=o
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** c(c1(c=cc(cl)=cc=1o))([o-])=o
 
* inchi-key:
 
* inchi-key:
** vuqlhqfkacohnz-lurjtmiesa-m
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** lwxfczxrfbuoor-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 145.135
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** 171.56
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACETOOHBUTREDUCTOISOM-RXN]]
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* [[RXN-9912]]
* [[RXN-14106]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14106]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(s)-2-aceto-2-hydroxybutanoate}}
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{{#set: common-name=4-chlorosalicylate}}
{{#set: inchi-key=inchikey=vuqlhqfkacohnz-lurjtmiesa-m}}
+
{{#set: inchi-key=inchikey=lwxfczxrfbuoor-uhfffaoysa-m}}
{{#set: molecular-weight=145.135}}
+
{{#set: molecular-weight=171.56}}

Revision as of 18:54, 14 January 2021

Metabolite CPD-10576

  • common-name:
    • 4-chlorosalicylate
  • smiles:
    • c(c1(c=cc(cl)=cc=1o))([o-])=o
  • inchi-key:
    • lwxfczxrfbuoor-uhfffaoysa-m
  • molecular-weight:
    • 171.56

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality