Difference between revisions of "CPD-14950"

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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 ISOCHORISMATE == * common-name: ** isochorismate * smiles: ** c=c(c(=o)[o-])oc1(c=cc=c(c1o)c([o-])=o) * inchi-key: ** ntgwprccoqcmge-yumq...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-13084 ==
+
== Metabolite ISOCHORISMATE ==
 
* common-name:
 
* common-name:
** brassicasterol 3-o-β-d-glucoside
+
** isochorismate
 
* 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))))
+
** c=c(c(=o)[o-])oc1(c=cc=c(c1o)c([o-])=o)
 
* inchi-key:
 
* inchi-key:
** iluzprrjjsfyeh-bmblosqwsa-n
+
** ntgwprccoqcmge-yumqzzprsa-l
 
* molecular-weight:
 
* molecular-weight:
** 560.813
+
** 224.17
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[2.5.1.64-RXN]]
 +
* [[ISOCHORSYN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12125]]
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* [[ISOCHORSYN-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=isochorismate}}
{{#set: inchi-key=inchikey=iluzprrjjsfyeh-bmblosqwsa-n}}
+
{{#set: inchi-key=inchikey=ntgwprccoqcmge-yumqzzprsa-l}}
{{#set: molecular-weight=560.813}}
+
{{#set: molecular-weight=224.17}}

Revision as of 11:18, 15 January 2021

Metabolite ISOCHORISMATE

  • common-name:
    • isochorismate
  • smiles:
    • c=c(c(=o)[o-])oc1(c=cc=c(c1o)c([o-])=o)
  • inchi-key:
    • ntgwprccoqcmge-yumqzzprsa-l
  • molecular-weight:
    • 224.17

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality