Difference between revisions of "CPD-17046"

Latest revision as of 11:11, 18 March 2021

common-name:
- 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
smiles:
- c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)nc(=o)ccc([n+])c([o-])=o)(co)nc(=o)2))c(c(ncc([o-])=o)=o)nc(=o)ccc([n+])c([o-])=o
inchi-key:
- yjisldwviydioe-wgtgpsahsa-l
molecular-weight:
- 842.848

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite SINAPYL-ALCOHOL ==
+== Metabolite CPD-17046 ==
 * common-name:
-** sinapyl alcohol
+** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
 * smiles:
-** coc1(c=c(c=cco)c=c(oc)c(o)=1)
+** c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)nc(=o)ccc([n+])c([o-])=o)(co)nc(=o)2))c(c(ncc([o-])=o)=o)nc(=o)ccc([n+])c([o-])=o
 * inchi-key:
-** lzfopexouvtgjs-onegzznksa-n
+** yjisldwviydioe-wgtgpsahsa-l
 * molecular-weight:
-** 210.229
+** 842.848
 == Reaction(s) known to consume the compound ==
+* [[RXN-15681]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-1125]]
+* [[RXN-15680]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=sinapyl alcohol}}
+{{#set: common-name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
-{{#set: inchi-key=inchikey=lzfopexouvtgjs-onegzznksa-n}}
+{{#set: inchi-key=inchikey=yjisldwviydioe-wgtgpsahsa-l}}
-{{#set: molecular-weight=210.229}}
+{{#set: molecular-weight=842.848}}