Difference between revisions of "CPD-8058"

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(Created page with "Category:metabolite == Metabolite CPD-6991 == * common-name: ** (2s)-pinocembrin * smiles: ** c3(c=cc(c2(oc1(=cc(=cc(=c1c(c2)=o)o)[o-])))=cc=3) * inchi-key: ** urfcjeuyxna...")
(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...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-6991 ==
+
== Metabolite 2-ACETO-2-HYDROXY-BUTYRATE ==
 
* common-name:
 
* common-name:
** (2s)-pinocembrin
+
** (s)-2-aceto-2-hydroxybutanoate
 
* smiles:
 
* smiles:
** c3(c=cc(c2(oc1(=cc(=cc(=c1c(c2)=o)o)[o-])))=cc=3)
+
** ccc(o)(c(=o)[o-])c(c)=o
 
* inchi-key:
 
* inchi-key:
** urfcjeuyxnahfi-zdusscgksa-m
+
** vuqlhqfkacohnz-lurjtmiesa-m
 
* molecular-weight:
 
* molecular-weight:
** 255.249
+
** 145.135
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7648]]
+
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 +
* [[RXN-14106]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7647]]
+
* [[RXN-14106]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2s)-pinocembrin}}
+
{{#set: common-name=(s)-2-aceto-2-hydroxybutanoate}}
{{#set: inchi-key=inchikey=urfcjeuyxnahfi-zdusscgksa-m}}
+
{{#set: inchi-key=inchikey=vuqlhqfkacohnz-lurjtmiesa-m}}
{{#set: molecular-weight=255.249}}
+
{{#set: molecular-weight=145.135}}

Revision as of 08:25, 15 March 2021

Metabolite 2-ACETO-2-HYDROXY-BUTYRATE

  • common-name:
    • (s)-2-aceto-2-hydroxybutanoate
  • smiles:
    • ccc(o)(c(=o)[o-])c(c)=o
  • inchi-key:
    • vuqlhqfkacohnz-lurjtmiesa-m
  • molecular-weight:
    • 145.135

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality