Difference between revisions of "CPD-444"

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(Created page with "Category:metabolite == Metabolite NN-DIMETHYLANILINE == * common-name: ** n,n-dimethylaniline * smiles: ** cn(c1(c=cc=cc=1))c * inchi-key: ** jltdjthdqawbav-uhfffaoysa-n *...")
(Created page with "Category:metabolite == Metabolite CPD0-2472 == * common-name: ** (r)-nadhx * smiles: ** c1(=c(ccc(o)n1c5(oc(cop(=o)([o-])op(=o)([o-])occ2(oc(c(o)c(o)2)n4(c=nc3(c(n)=nc=nc=...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite NN-DIMETHYLANILINE ==
+
== Metabolite CPD0-2472 ==
 
* common-name:
 
* common-name:
** n,n-dimethylaniline
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** (r)-nadhx
 
* smiles:
 
* smiles:
** cn(c1(c=cc=cc=1))c
+
** c1(=c(ccc(o)n1c5(oc(cop(=o)([o-])op(=o)([o-])occ2(oc(c(o)c(o)2)n4(c=nc3(c(n)=nc=nc=34))))c(o)c(o)5))c(n)=o)
 
* inchi-key:
 
* inchi-key:
** jltdjthdqawbav-uhfffaoysa-n
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** idbzkgqrlbfufq-mtkbybfrsa-l
 
* molecular-weight:
 
* molecular-weight:
** 121.182
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** 681.445
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.14.13.8-RXN]]
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* [[RXN-12752]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=n,n-dimethylaniline}}
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{{#set: common-name=(r)-nadhx}}
{{#set: inchi-key=inchikey=jltdjthdqawbav-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=idbzkgqrlbfufq-mtkbybfrsa-l}}
{{#set: molecular-weight=121.182}}
+
{{#set: molecular-weight=681.445}}

Revision as of 15:24, 5 January 2021

Metabolite CPD0-2472

  • common-name:
    • (r)-nadhx
  • smiles:
    • c1(=c(ccc(o)n1c5(oc(cop(=o)([o-])op(=o)([o-])occ2(oc(c(o)c(o)2)n4(c=nc3(c(n)=nc=nc=34))))c(o)c(o)5))c(n)=o)
  • inchi-key:
    • idbzkgqrlbfufq-mtkbybfrsa-l
  • molecular-weight:
    • 681.445

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality