Difference between revisions of "CPD-5662"

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(Created page with "Category:metabolite == Metabolite HOMO-I-CIT == * common_name: ** (1r,2s)-homoisocitrate * smiles: ** c(cc(=o)[o-])c(c(=o)[o-])c(o)c(=o)[o-] * inchi_key: ** inchikey=oejzz...")
(Created page with "Category:metabolite == Metabolite CPD-7994 == * common-name: ** n-methyl-δ1-pyrrolinium cation * molecular-weight: ** 84.141 * inchi-key: ** fdwzaogdovqold-uhfffaoys...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite HOMO-I-CIT ==
+
== Metabolite CPD-7994 ==
* common_name:
+
* common-name:
** (1r,2s)-homoisocitrate
+
** n-methyl-δ1-pyrrolinium cation
 +
* molecular-weight:
 +
** 84.141
 +
* inchi-key:
 +
** fdwzaogdovqold-uhfffaoysa-n
 
* smiles:
 
* smiles:
** c(cc(=o)[o-])c(c(=o)[o-])c(o)c(=o)[o-]
+
** c[n+]1(cccc=1)
* inchi_key:
 
** inchikey=oejzzcgrgvfwhk-wvzvxsggsa-k
 
* molecular_weight:
 
** 203.128   
 
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13722]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HOMOACONITATE-HYDRATASE-RXN]]
+
* [[RXN-8246]]
* [[RXN-13722]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common_name=(1r,2s)-homoisocitrate}}
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{{#set: common-name=n-methyl-δ1-pyrrolinium cation}}
{{#set: inchi_key=inchikey=oejzzcgrgvfwhk-wvzvxsggsa-k}}
+
{{#set: molecular-weight=84.141}}
{{#set: molecular_weight=203.128    }}
+
{{#set: inchi-key=inchikey=fdwzaogdovqold-uhfffaoysa-n}}

Revision as of 19:00, 17 March 2021

Metabolite CPD-7994

  • common-name:
    • n-methyl-δ1-pyrrolinium cation
  • molecular-weight:
    • 84.141
  • inchi-key:
    • fdwzaogdovqold-uhfffaoysa-n
  • smiles:
    • c[n+]1(cccc=1)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality