Difference between revisions of "CPD-11409"

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(Created page with "Category:metabolite == Metabolite CPD-9460 == * common-name: ** oleanolate 3 β-d-glucuronoside * smiles: ** cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(...")
(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...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-9460 ==
+
== Metabolite CPD-7100 ==
 
* common-name:
 
* common-name:
** oleanolate 3 β-d-glucuronoside
+
** (2s)-2-isopropyl-3-oxosuccinate
 
* smiles:
 
* smiles:
** cc6(ccc5(ccc1(c(=cc[ch]2(c1(cc[ch]3(c2(ccc(c3(c)c)oc4(c(c(c(c(o4)c(=o)[o-])o)o)o))c))c))[ch]5c6)c)c(=o)[o-])c
+
** cc(c(c(=o)[o-])c(=o)c(=o)[o-])c
 
* inchi-key:
 
* inchi-key:
** iuchkmazawjnbj-rcyxvvtdsa-l
+
** hiizagqwabamrr-bypyzucnsa-l
 
* molecular-weight:
 
* molecular-weight:
** 630.817
+
** 172.137
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[3-ISOPROPYLMALDEHYDROG-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9000]]
+
* [[3-ISOPROPYLMALDEHYDROG-RXN]]
 +
* [[IMDH]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=oleanolate 3 β-d-glucuronoside}}
+
{{#set: common-name=(2s)-2-isopropyl-3-oxosuccinate}}
{{#set: inchi-key=inchikey=iuchkmazawjnbj-rcyxvvtdsa-l}}
+
{{#set: inchi-key=inchikey=hiizagqwabamrr-bypyzucnsa-l}}
{{#set: molecular-weight=630.817}}
+
{{#set: molecular-weight=172.137}}

Revision as of 08:24, 15 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