Difference between revisions of "CPD-3617"

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(Created page with "Category:metabolite == Metabolite 2-ALPHA-HYDROXYETHYL-THPP == * common-name: ** 2-(α-hydroxyethyl)thiamine diphosphate * smiles: ** cc2(=c(sc(c(c)o)=[n+](cc1(c=nc(c...")
(Created page with "Category:metabolite == Metabolite CPD-3617 == * common-name: ** decanoate * smiles: ** cccccccccc(=o)[o-] * inchi-key: ** ghvnfzfcnzkvnt-uhfffaoysa-m * molecular-weight: *...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-ALPHA-HYDROXYETHYL-THPP ==
+
== Metabolite CPD-3617 ==
 
* common-name:
 
* common-name:
** 2-(α-hydroxyethyl)thiamine diphosphate
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** decanoate
 
* smiles:
 
* smiles:
** cc2(=c(sc(c(c)o)=[n+](cc1(c=nc(c)=nc(n)=1))2)ccop(=o)([o-])op(=o)([o-])[o-])
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** cccccccccc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** rruvjgasjonmdy-uhfffaoysa-l
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** ghvnfzfcnzkvnt-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 466.341
+
** 171.259
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[PDHam2hi]]
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* [[RXN-13614]]
* [[PDHam2mi]]
 
* [[RXN-12508]]
 
* [[RXN-14037]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12583]]
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* [[RXN-16653]]
* [[RXN-14037]]
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* [[RXN-9628]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-(α-hydroxyethyl)thiamine diphosphate}}
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{{#set: common-name=decanoate}}
{{#set: inchi-key=inchikey=rruvjgasjonmdy-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=ghvnfzfcnzkvnt-uhfffaoysa-m}}
{{#set: molecular-weight=466.341}}
+
{{#set: molecular-weight=171.259}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPD-3617

  • common-name:
    • decanoate
  • smiles:
    • cccccccccc(=o)[o-]
  • inchi-key:
    • ghvnfzfcnzkvnt-uhfffaoysa-m
  • molecular-weight:
    • 171.259

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality