Difference between revisions of "RXN-16621"

Revision as of 21:53, 24 July 2020

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 [[Category:metabolite]]
-== Metabolite CPD-12259 ==
+== Metabolite 5-HYDROXYINDOLE_ACETATE ==
 * common-name:
-** a peptidoglycan dimer (s. aureus)
+** 5-hydroxyindole acetate
 * inchi-key:
-** ydlqghnionnlsm-shgysnkbsa-l
+** duugkqcegzlzno-uhfffaoysa-m
 * molecular-weight:
-** 3391.761
+** 190.178
 * 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]4([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]3(o[c@h](co)[c@@h](o[c@h]2([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]1(o[c@h](co)[c@@h](o)[c@h](o)[c@@h](nc(=o)c)1))[c@@h](co)o2))[c@h](o)[c@@h](nc(=o)c)3))[c@@h](co)o4)
+** c([o-])(=o)cc1(/c2(/c(\nc=1)=c/c=c(o)c=2))
 == Reaction(s) known to consume the compound ==
-* [[RXN-11065]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-11291]]
+* [[RXN-10780]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=a peptidoglycan dimer (s. aureus)}}
+{{#set: common-name=5-hydroxyindole acetate}}
-{{#set: inchi-key=inchikey=ydlqghnionnlsm-shgysnkbsa-l}}
+{{#set: inchi-key=inchikey=duugkqcegzlzno-uhfffaoysa-m}}
-{{#set: molecular-weight=3391.761}}
+{{#set: molecular-weight=190.178}}