Difference between revisions of "CPD-253"

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(Created page with "Category:metabolite == Metabolite CPD0-2123 == * common-name: ** 3-oxodecanoyl-coa * smiles: ** cccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-]...")
(Created page with "Category:metabolite == Metabolite CPD-253 == * common-name: ** 4,5-seco-dopa * smiles: ** c(=o)c=c(cc([n+])c(=o)[o-])c=c(c([o-])=o)o * inchi-key: ** fnegjfdtwwxqes-qtwonpp...")
 
(5 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD0-2123 ==
+
== Metabolite CPD-253 ==
 
* common-name:
 
* common-name:
** 3-oxodecanoyl-coa
+
** 4,5-seco-dopa
 
* smiles:
 
* smiles:
** cccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+
** c(=o)c=c(cc([n+])c(=o)[o-])c=c(c([o-])=o)o
 
* inchi-key:
 
* inchi-key:
** azcvxmaplhsiky-hsjnekgzsa-j
+
** fnegjfdtwwxqes-qtwonppnsa-m
 
* molecular-weight:
 
* molecular-weight:
** 931.738
+
** 228.181
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACACT4]]
 
* [[HACD4h]]
 
* [[RXN-13617]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACACT4]]
+
* [[RXN-8460]]
* [[ACACT4h]]
 
* [[HACD4h]]
 
* [[RXN-12490]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxodecanoyl-coa}}
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{{#set: common-name=4,5-seco-dopa}}
{{#set: inchi-key=inchikey=azcvxmaplhsiky-hsjnekgzsa-j}}
+
{{#set: inchi-key=inchikey=fnegjfdtwwxqes-qtwonppnsa-m}}
{{#set: molecular-weight=931.738}}
+
{{#set: molecular-weight=228.181}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPD-253

  • common-name:
    • 4,5-seco-dopa
  • smiles:
    • c(=o)c=c(cc([n+])c(=o)[o-])c=c(c([o-])=o)o
  • inchi-key:
    • fnegjfdtwwxqes-qtwonppnsa-m
  • molecular-weight:
    • 228.181

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality