Difference between revisions of "CPD-17047"

Latest revision as of 11:11, 18 March 2021

common-name:
- 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
smiles:
- c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)[n+])(co)nc(=o)2))c(c(ncc([o-])=o)=o)[n+]
inchi-key:
- chbulttudaiwdp-hcihmxrssa-n
molecular-weight:
- 586.634

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11409 ==
+== Metabolite CPD-17047 ==
 * common-name:
-** tetraiodothyroacetate ether glucuronide
+** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
 * smiles:
-** c(=o)([o-])cc1(c=c(i)c(=c(i)c=1)oc3(=cc(i)=c(oc2(oc(c([o-])=o)c(o)c(o)c(o)2))c(i)=c3))
+** c(sc2(cc1(=cc=cc=c1))(nc(=o)c(scc(c(ncc([o-])=o)=o)[n+])(co)nc(=o)2))c(c(ncc([o-])=o)=o)[n+]
 * inchi-key:
-** gyorpzqlvmnogy-rupwjetcsa-l
+** chbulttudaiwdp-hcihmxrssa-n
 * molecular-weight:
-** 921.943
+** 586.634
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-10616]]
+* [[RXN-15681]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=tetraiodothyroacetate ether glucuronide}}
+{{#set: common-name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine}}
-{{#set: inchi-key=inchikey=gyorpzqlvmnogy-rupwjetcsa-l}}
+{{#set: inchi-key=inchikey=chbulttudaiwdp-hcihmxrssa-n}}
-{{#set: molecular-weight=921.943}}
+{{#set: molecular-weight=586.634}}