Difference between revisions of "CPD-31"

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(Created page with "Category:metabolite == Metabolite CPD-13084 == * common-name: ** brassicasterol 3-o-β-d-glucoside * smiles: ** cc(c)c(c)c=cc(c)[ch]4(cc[ch]5([ch]3(cc=c2(cc(oc1(oc(co)...")
(Created page with "Category:metabolite == Metabolite CPD-31 == * common-name: ** (r)-citramalate * smiles: ** cc(o)(c(=o)[o-])cc(=o)[o-] * inchi-key: ** xftrtwqbiomvpk-rxmqykedsa-l * molecul...")
 
(4 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-13084 ==
+
== Metabolite CPD-31 ==
 
* common-name:
 
* common-name:
** brassicasterol 3-o-β-d-glucoside
+
** (r)-citramalate
 
* smiles:
 
* smiles:
** cc(c)c(c)c=cc(c)[ch]4(cc[ch]5([ch]3(cc=c2(cc(oc1(oc(co)c(o)c(o)c(o)1))ccc(c)2[ch]3ccc(c)45))))
+
** cc(o)(c(=o)[o-])cc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** iluzprrjjsfyeh-bmblosqwsa-n
+
** xftrtwqbiomvpk-rxmqykedsa-l
 
* molecular-weight:
 
* molecular-weight:
** 560.813
+
** 146.099
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12125]]
+
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=brassicasterol 3-o-β-d-glucoside}}
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{{#set: common-name=(r)-citramalate}}
{{#set: inchi-key=inchikey=iluzprrjjsfyeh-bmblosqwsa-n}}
+
{{#set: inchi-key=inchikey=xftrtwqbiomvpk-rxmqykedsa-l}}
{{#set: molecular-weight=560.813}}
+
{{#set: molecular-weight=146.099}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPD-31

  • common-name:
    • (r)-citramalate
  • smiles:
    • cc(o)(c(=o)[o-])cc(=o)[o-]
  • inchi-key:
    • xftrtwqbiomvpk-rxmqykedsa-l
  • molecular-weight:
    • 146.099

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality