Difference between revisions of "RXN-11479"

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(Created page with "Category:metabolite == Metabolite CPD-12230 == * common-name: ** a peptidoglycan with d,d cross-link (s. aureus) * inchi-key: ** rnudguzvldavga-hfxdownisa-j * molecular-we...")
(Created page with "Category:metabolite == Metabolite CPD-19840 == * common-name: ** roseoflavin adenine dinucleotide * inchi-key: ** mhlhgxadkuhzgn-mzwsmyjrsa-k * molecular-weight: ** 811.57...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
−
== Metabolite CPD-12230 ==
+
== Metabolite CPD-19840 ==
 
* common-name:
 
* common-name:
−
** a peptidoglycan with d,d cross-link (s. aureus)
+
** roseoflavin adenine dinucleotide
 
* inchi-key:
 
* inchi-key:
−
** rnudguzvldavga-hfxdownisa-j
+
** mhlhgxadkuhzgn-mzwsmyjrsa-k
 
* molecular-weight:
 
* molecular-weight:
−
** 6694.429
+
** 811.574
 
* smiles:
 
* smiles:
−
** cc(c)=cccc(/c)=c/ccc(/c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/ccc(\c)=c/cop([o-])(=o)op([o-])(=o)o[c@h]8([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@h](o[c@h]7(o[c@h](co)[c@@h](o[c@h]6([c@h](nc(=o)c)[c@@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(ncc(=o)ncc(ncc(=o)ncc(ncc(=o)ncccc[c@@h](c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)nc(=o)cc[c@@h](nc(=o)[c@@h](nc(=o)[c@@h](c)o[c@@h]4([c@h](o[c@h]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)1))[c@@h](co)o[c@h](o[c@@h]3([c@h](o)[c@@h](nc(=o)c)[c@h](o[c@@h]2([c@h](o[c@h](c)c(=o)n[c@@h](c)c(=o)n[c@h](ccc(=o)n[c@@h](ccccnc(cnc(cnc(cnc(cnc(c[n+])=o)=o)=o)=o)=o)c(n[c@h](c)c(n[c@@h](c(=o)[o-])c)=o)=o)c(=o)n)[c@@h](nc(=o)c)[c@h](o[c@h](co)2)op([o-])(=o)op([o-])(=o)occ=c(ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(ccc=c(ccc=c(ccc=c(c)ccc=c(c)ccc=c(c)c)c)c)c)c)c)c)c))o[c@h](co)3))[c@h](nc(=o)c)4))c)c(=o)n)=o)=o)=o)=o)c(=o)n)[c@h](o[c@h]5(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)5))[c@@h](co)o6))[c@h](o)[c@@h](nc(=o)c)7))[c@@h](co)o8)
+
** cc6(\c=c5(n=c1(c(=o)[n-]c(=o)n=c1n(c[c@@h]([c@h](o)[c@h](o)cop(op([o-])(oc[c@h]4([c@@h](o)[c@@h](o)[c@h](n2(c=nc3(c(n)=nc=nc2=3)))o4))=o)([o-])=o)o)c/5=c/c(\n(c)c)=6)))
 
== 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-11065]]
+
* [[RXN-18511]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
{{#set: common-name=a peptidoglycan with d,d cross-link (s. aureus)}}
+
{{#set: common-name=roseoflavin adenine dinucleotide}}
−
{{#set: inchi-key=inchikey=rnudguzvldavga-hfxdownisa-j}}
+
{{#set: inchi-key=inchikey=mhlhgxadkuhzgn-mzwsmyjrsa-k}}
−
{{#set: molecular-weight=6694.429}}
+
{{#set: molecular-weight=811.574}}

Revision as of 15:56, 18 March 2021

Metabolite CPD-19840

  • common-name:
    • roseoflavin adenine dinucleotide
  • inchi-key:
    • mhlhgxadkuhzgn-mzwsmyjrsa-k
  • molecular-weight:
    • 811.574
  • smiles:
    • cc6(\c=c5(n=c1(c(=o)[n-]c(=o)n=c1n(c[c@@h]([c@h](o)[c@h](o)cop(op([o-])(oc[c@h]4([c@@h](o)[c@@h](o)[c@h](n2(c=nc3(c(n)=nc=nc2=3)))o4))=o)([o-])=o)o)c/5=c/c(\n(c)c)=6)))

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

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