Difference between revisions of "3-KETOBUTYRATE"

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(Created page with "Category:metabolite == Metabolite CPD-202 == * common-name: ** choloyl-coa * smiles: ** cc(ccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(...")
(Created page with "Category:metabolite == Metabolite 3-KETOBUTYRATE == * common-name: ** acetoacetate * smiles: ** cc(=o)cc([o-])=o * inchi-key: ** wdjhalxbufzdsr-uhfffaoysa-m * molecular-we...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-202 ==
+
== Metabolite 3-KETOBUTYRATE ==
 
* common-name:
 
* common-name:
** choloyl-coa
+
** acetoacetate
 
* smiles:
 
* smiles:
** cc(ccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])[ch]5(cc[ch]6([ch]7(c(o)c[ch]4(cc(o)ccc(c)4[ch](cc(o)c(c)56)7))))
+
** cc(=o)cc([o-])=o
 
* inchi-key:
 
* inchi-key:
** zkwnotqhfkyunu-jgciywtlsa-j
+
** wdjhalxbufzdsr-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 1154.064
+
** 101.082
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
 +
* [[ACETOACETATE--COA-LIGASE-RXN]]
 +
* [[HBNOm]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2.3.1.176-RXN]]
+
* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
 +
* [[HBNOm]]
 +
* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=choloyl-coa}}
+
{{#set: common-name=acetoacetate}}
{{#set: inchi-key=inchikey=zkwnotqhfkyunu-jgciywtlsa-j}}
+
{{#set: inchi-key=inchikey=wdjhalxbufzdsr-uhfffaoysa-m}}
{{#set: molecular-weight=1154.064}}
+
{{#set: molecular-weight=101.082}}

Revision as of 18:59, 14 January 2021

Metabolite 3-KETOBUTYRATE

  • common-name:
    • acetoacetate
  • smiles:
    • cc(=o)cc([o-])=o
  • inchi-key:
    • wdjhalxbufzdsr-uhfffaoysa-m
  • molecular-weight:
    • 101.082

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality