Difference between revisions of "CPD-5821"

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(Created page with "Category:metabolite == Metabolite CPD-10590 == * common-name: ** (24r,25r)-3α,7α,24-trihydroxy-5β-cholestanoyl coa * smiles: ** cc(ccc(o)c(c)c(sccnc(=o)cc...")
(Created page with "Category:metabolite == Metabolite HYPOTAURINE == * common-name: ** hypotaurine * smiles: ** c([n+])cs([o-])=o * inchi-key: ** vviubcnyacgllv-uhfffaoysa-n * molecular-weigh...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-10590 ==
+
== Metabolite HYPOTAURINE ==
 
* common-name:
 
* common-name:
** (24r,25r)-3α,7α,24-trihydroxy-5β-cholestanoyl coa
+
** hypotaurine
 
* smiles:
 
* smiles:
** cc(ccc(o)c(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)4cc[ch]6([ch]5c(o)c[ch]7(c(c)6ccc(o)c7))))
+
** c([n+])cs([o-])=o
 
* inchi-key:
 
* inchi-key:
** szbmuaijwnjarr-uizkvwqnsa-j
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** vviubcnyacgllv-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 1196.145
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** 109.143
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9847]]
+
* [[CYSTEAMINE-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(24r,25r)-3α,7α,24-trihydroxy-5β-cholestanoyl coa}}
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{{#set: common-name=hypotaurine}}
{{#set: inchi-key=inchikey=szbmuaijwnjarr-uizkvwqnsa-j}}
+
{{#set: inchi-key=inchikey=vviubcnyacgllv-uhfffaoysa-n}}
{{#set: molecular-weight=1196.145}}
+
{{#set: molecular-weight=109.143}}

Revision as of 18:57, 14 January 2021

Metabolite HYPOTAURINE

  • common-name:
    • hypotaurine
  • smiles:
    • c([n+])cs([o-])=o
  • inchi-key:
    • vviubcnyacgllv-uhfffaoysa-n
  • molecular-weight:
    • 109.143

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality