Difference between revisions of "CPD-7100"

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(Created page with "Category:metabolite == Metabolite CPD-479 == * common-name: ** 4-(methylsulfanyl)-2-oxobutanoate * smiles: ** csccc(c([o-])=o)=o * inchi-key: ** sxfsqzdsuwackx-uhfffaoysa-...")
(Created page with "Category:metabolite == Metabolite CPD-7100 == * common-name: ** (2s)-2-isopropyl-3-oxosuccinate * smiles: ** cc(c(c(=o)[o-])c(=o)c(=o)[o-])c * inchi-key: ** hiizagqwabamrr...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-479 ==
+
== Metabolite CPD-7100 ==
 
* common-name:
 
* common-name:
** 4-(methylsulfanyl)-2-oxobutanoate
+
** (2s)-2-isopropyl-3-oxosuccinate
 
* smiles:
 
* smiles:
** csccc(c([o-])=o)=o
+
** cc(c(c(=o)[o-])c(=o)c(=o)[o-])c
 
* inchi-key:
 
* inchi-key:
** sxfsqzdsuwackx-uhfffaoysa-m
+
** hiizagqwabamrr-bypyzucnsa-l
 
* molecular-weight:
 
* molecular-weight:
** 147.168
+
** 172.137
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14147]]
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* [[3-ISOPROPYLMALDEHYDROG-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[R147-RXN]]
+
* [[3-ISOPROPYLMALDEHYDROG-RXN]]
* [[RXN-14147]]
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* [[IMDH]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-(methylsulfanyl)-2-oxobutanoate}}
+
{{#set: common-name=(2s)-2-isopropyl-3-oxosuccinate}}
{{#set: inchi-key=inchikey=sxfsqzdsuwackx-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=hiizagqwabamrr-bypyzucnsa-l}}
{{#set: molecular-weight=147.168}}
+
{{#set: molecular-weight=172.137}}

Latest revision as of 11:11, 18 March 2021

Metabolite CPD-7100

  • common-name:
    • (2s)-2-isopropyl-3-oxosuccinate
  • smiles:
    • cc(c(c(=o)[o-])c(=o)c(=o)[o-])c
  • inchi-key:
    • hiizagqwabamrr-bypyzucnsa-l
  • molecular-weight:
    • 172.137

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality