Difference between revisions of "CPD-171"

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(Created page with "Category:metabolite == Metabolite CPD-1130 == * common-name: ** 3-ethylmalate * smiles: ** ccc(c([o-])=o)c(c(=o)[o-])o * inchi-key: ** jucrenbzzqkfgk-uhfffaoysa-l * molecu...")
(Created page with "Category:metabolite == Metabolite CPD-9699 == * common-name: ** hypoglycin a * smiles: ** c=c1(c(cc([n+])c([o-])=o)c1) * inchi-key: ** oojzcxfxpzgubj-uhfffaoysa-n * molecu...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-1130 ==
+
== Metabolite CPD-9699 ==
 
* common-name:
 
* common-name:
** 3-ethylmalate
+
** hypoglycin a
 
* smiles:
 
* smiles:
** ccc(c([o-])=o)c(c(=o)[o-])o
+
** c=c1(c(cc([n+])c([o-])=o)c1)
 
* inchi-key:
 
* inchi-key:
** jucrenbzzqkfgk-uhfffaoysa-l
+
** oojzcxfxpzgubj-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 160.126
+
** 141.169
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14986]]
+
* [[RXN-9157]]
* [[RXN-18210]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-18210]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-ethylmalate}}
+
{{#set: common-name=hypoglycin a}}
{{#set: inchi-key=inchikey=jucrenbzzqkfgk-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=oojzcxfxpzgubj-uhfffaoysa-n}}
{{#set: molecular-weight=160.126}}
+
{{#set: molecular-weight=141.169}}

Revision as of 14:55, 5 January 2021

Metabolite CPD-9699

  • common-name:
    • hypoglycin a
  • smiles:
    • c=c1(c(cc([n+])c([o-])=o)c1)
  • inchi-key:
    • oojzcxfxpzgubj-uhfffaoysa-n
  • molecular-weight:
    • 141.169

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality