Difference between revisions of "CPD-458"

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(Created page with "Category:metabolite == Metabolite EDTA == * common-name: ** edta * smiles: ** c(c[n+](cc([o-])=o)cc([o-])=o)[n+](cc([o-])=o)cc([o-])=o * inchi-key: ** kcxvzyzypllwcc-uhfff...")
(Created page with "Category:metabolite == Metabolite CPD-458 == * common-name: ** galactinol * smiles: ** c(c1(oc(c(c(c1o)o)o)oc2(c(c(c(c(c2o)o)o)o)o)))o * inchi-key: ** vcwmrqdbpzkxkg-xidcd...")
 
(5 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite EDTA ==
+
== Metabolite CPD-458 ==
 
* common-name:
 
* common-name:
** edta
+
** galactinol
 
* smiles:
 
* smiles:
** c(c[n+](cc([o-])=o)cc([o-])=o)[n+](cc([o-])=o)cc([o-])=o
+
** c(c1(oc(c(c(c1o)o)o)oc2(c(c(c(c(c2o)o)o)o)o)))o
 
* inchi-key:
 
* inchi-key:
** kcxvzyzypllwcc-uhfffaoysa-l
+
** vcwmrqdbpzkxkg-xidcdeprsa-n
 
* molecular-weight:
 
* molecular-weight:
** 290.229
+
** 342.299
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ExchangeSeed-EDTA]]
+
* [[2.4.1.67-RXN]]
* [[TransportSeed-EDTA]]
+
* [[2.4.1.82-RXN]]
 +
* [[RXN-8281]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ExchangeSeed-EDTA]]
+
* [[2.4.1.123-RXN]]
* [[TransportSeed-EDTA]]
+
* [[2.4.1.67-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=edta}}
+
{{#set: common-name=galactinol}}
{{#set: inchi-key=inchikey=kcxvzyzypllwcc-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=vcwmrqdbpzkxkg-xidcdeprsa-n}}
{{#set: molecular-weight=290.229}}
+
{{#set: molecular-weight=342.299}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-458

  • common-name:
    • galactinol
  • smiles:
    • c(c1(oc(c(c(c1o)o)o)oc2(c(c(c(c(c2o)o)o)o)o)))o
  • inchi-key:
    • vcwmrqdbpzkxkg-xidcdeprsa-n
  • molecular-weight:
    • 342.299

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality