Difference between revisions of "CPD-6242"

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(Created page with "Category:metabolite == Metabolite QUINOLINATE == * common-name: ** quinolinate * smiles: ** c1(=cc=c(c(c([o-])=o)=n1)c([o-])=o) * inchi-key: ** gjawhxhkyyxbsv-uhfffaoysa-l...")
(Created page with "Category:metabolite == Metabolite CPD-321 == * common-name: ** 3-aci-nitropropanoate * smiles: ** c(cc([o-])=o)=[n+]([o-])[o-] * inchi-key: ** kxxxivrxvxkxpa-uhfffaoysa-m...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite QUINOLINATE ==
+
== Metabolite CPD-321 ==
 
* common-name:
 
* common-name:
** quinolinate
+
** 3-aci-nitropropanoate
 
* smiles:
 
* smiles:
** c1(=cc=c(c(c([o-])=o)=n1)c([o-])=o)
+
** c(cc([o-])=o)=[n+]([o-])[o-]
 
* inchi-key:
 
* inchi-key:
** gjawhxhkyyxbsv-uhfffaoysa-l
+
** kxxxivrxvxkxpa-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 165.105
+
** 117.061
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[QUINOPRIBOTRANS-RXN]]
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* [[RXN-16322]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[QUINOLINATE-SYNTHA-RXN]]
 
* [[QUINOLINATE-SYNTHE-MULTI-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=quinolinate}}
+
{{#set: common-name=3-aci-nitropropanoate}}
{{#set: inchi-key=inchikey=gjawhxhkyyxbsv-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=kxxxivrxvxkxpa-uhfffaoysa-m}}
{{#set: molecular-weight=165.105}}
+
{{#set: molecular-weight=117.061}}

Revision as of 15:28, 5 January 2021

Metabolite CPD-321

  • common-name:
    • 3-aci-nitropropanoate
  • smiles:
    • c(cc([o-])=o)=[n+]([o-])[o-]
  • inchi-key:
    • kxxxivrxvxkxpa-uhfffaoysa-m
  • molecular-weight:
    • 117.061

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality