Difference between revisions of "GAMMA-BUTYROBETAINE"

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(Created page with "Category:metabolite == Metabolite CPD-71 == * common-name: ** (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa * smiles: ** cc(cccc(c)c(sccnc(=o)ccnc(...")
(Created page with "Category:metabolite == Metabolite GAMMA-BUTYROBETAINE == * common-name: ** γ-butyrobetaine * smiles: ** c[n+](cccc([o-])=o)(c)c * inchi-key: ** jhpnvniexxlntr-uhfffa...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-71 ==
+
== Metabolite GAMMA-BUTYROBETAINE ==
 
* common-name:
 
* common-name:
** (25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa
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** γ-butyrobetaine
 
* smiles:
 
* smiles:
** cc(cccc(c)c(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-])=o)[ch]4(cc[ch]5(c(c)4c(o)c[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
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** c[n+](cccc([o-])=o)(c)c
 
* inchi-key:
 
* inchi-key:
** mnydliunnocphg-fjwdchqmsa-j
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** jhpnvniexxlntr-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 1196.145
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** 145.201
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.17.99.3-RXN]]
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* [[1.14.11.1-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.17.99.3-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(25r)-3α,7α,12α-trihydroxy-5β-cholestanoyl-coa}}
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{{#set: common-name=γ-butyrobetaine}}
{{#set: inchi-key=inchikey=mnydliunnocphg-fjwdchqmsa-j}}
+
{{#set: inchi-key=inchikey=jhpnvniexxlntr-uhfffaoysa-n}}
{{#set: molecular-weight=1196.145}}
+
{{#set: molecular-weight=145.201}}

Latest revision as of 11:14, 18 March 2021

Metabolite GAMMA-BUTYROBETAINE

  • common-name:
    • γ-butyrobetaine
  • smiles:
    • c[n+](cccc([o-])=o)(c)c
  • inchi-key:
    • jhpnvniexxlntr-uhfffaoysa-n
  • molecular-weight:
    • 145.201

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality