Difference between revisions of "CPD-569"

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(Created page with "Category:metabolite == Metabolite 2-METHYL-3-HYDROXY-BUTYRYL-COA == * common-name: ** (2s,3s)-3-hydroxy-2-methylbutanoyl-coa * smiles: ** cc(c(=o)sccnc(=o)ccnc(=o)c(o)c(c)...")
(Created page with "Category:metabolite == Metabolite CPD-569 == * common-name: ** n-acetylputrescine * smiles: ** cc(=o)ncccc[n+] * inchi-key: ** klzgkidsejwedw-uhfffaoysa-o * molecular-weig...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-METHYL-3-HYDROXY-BUTYRYL-COA ==
+
== Metabolite CPD-569 ==
 
* common-name:
 
* common-name:
** (2s,3s)-3-hydroxy-2-methylbutanoyl-coa
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** n-acetylputrescine
 
* smiles:
 
* smiles:
** cc(c(=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(c)o
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** cc(=o)ncccc[n+]
 
* inchi-key:
 
* inchi-key:
** pekyntfsobaabv-lqudnsjzsa-j
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** klzgkidsejwedw-uhfffaoysa-o
 
* molecular-weight:
 
* molecular-weight:
** 863.619
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** 131.197
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.1.1.178-RXN]]
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* [[RXN-1]]
* [[HMNOS]]
 
* [[TIGLYLCOA-HYDROXY-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.1.1.178-RXN]]
 
* [[ECH_LPAREN_3hmbcoa_RPAREN_]]
 
* [[HMNOS]]
 
* [[TIGLYLCOA-HYDROXY-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2s,3s)-3-hydroxy-2-methylbutanoyl-coa}}
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{{#set: common-name=n-acetylputrescine}}
{{#set: inchi-key=inchikey=pekyntfsobaabv-lqudnsjzsa-j}}
+
{{#set: inchi-key=inchikey=klzgkidsejwedw-uhfffaoysa-o}}
{{#set: molecular-weight=863.619}}
+
{{#set: molecular-weight=131.197}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-569

  • common-name:
    • n-acetylputrescine
  • smiles:
    • cc(=o)ncccc[n+]
  • inchi-key:
    • klzgkidsejwedw-uhfffaoysa-o
  • molecular-weight:
    • 131.197

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality