Difference between revisions of "DIPHTINE"

Revision as of 14:53, 5 January 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17046 ==
+== Metabolite D-GLUCARATE ==
 * common-name:
-** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
+** d-glucarate
 * 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
+** c(=o)(c(o)c(o)c(o)c(o)c(=o)[o-])[o-]
 * inchi-key:
-** yjisldwviydioe-wgtgpsahsa-l
+** dslzvsrjtyrbfb-lleiaeiesa-l
 * molecular-weight:
-** 842.848
+** 208.124
 == Reaction(s) known to consume the compound ==
-* [[RXN-15681]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-15680]]
+* [[RXN-14225]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
+{{#set: common-name=d-glucarate}}
-{{#set: inchi-key=inchikey=yjisldwviydioe-wgtgpsahsa-l}}
+{{#set: inchi-key=inchikey=dslzvsrjtyrbfb-lleiaeiesa-l}}
-{{#set: molecular-weight=842.848}}
+{{#set: molecular-weight=208.124}}