Difference between revisions of "CPD-14485"

Latest revision as of 11:11, 18 March 2021

common-name:
- glycyrrhetaldehyde
smiles:
- cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc([ch]=o)(c)cc5)c))))
inchi-key:
- otknpgbtqxvjnh-dfrazxlmsa-n
molecular-weight:
- 454.692

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17046 ==
+== Metabolite CPD-14485 ==
 * common-name:
-** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
+** glycyrrhetaldehyde
 * 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
+** cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc([ch]=o)(c)cc5)c))))
 * inchi-key:
-** yjisldwviydioe-wgtgpsahsa-l
+** otknpgbtqxvjnh-dfrazxlmsa-n
 * molecular-weight:
-** 842.848
+** 454.692
 == Reaction(s) known to consume the compound ==
-* [[RXN-15681]]
+* [[RXN-13494]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-15680]]
+* [[RXN-13493]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
+{{#set: common-name=glycyrrhetaldehyde}}
-{{#set: inchi-key=inchikey=yjisldwviydioe-wgtgpsahsa-l}}
+{{#set: inchi-key=inchikey=otknpgbtqxvjnh-dfrazxlmsa-n}}
-{{#set: molecular-weight=842.848}}
+{{#set: molecular-weight=454.692}}