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 DETHIOBIOTIN ==
+== Metabolite CPD-17046 ==
 * common-name:
-** dethiobiotin
+** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
 * smiles:
-** cc1(nc(=o)nc1cccccc(=o)[o-])
+** 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:
-** autolbmxddtrrt-uhfffaoysa-m
+** yjisldwviydioe-wgtgpsahsa-l
 * molecular-weight:
-** 213.256
+** 842.848
 == Reaction(s) known to consume the compound ==
-* [[2.8.1.6-RXN]]
+* [[RXN-15681]]
-* [[RXN-17472]]
 == Reaction(s) known to produce the compound ==
-* [[DETHIOBIOTIN-SYN-RXN]]
+* [[RXN-15680]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=dethiobiotin}}
+{{#set: common-name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
-{{#set: inchi-key=inchikey=autolbmxddtrrt-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=yjisldwviydioe-wgtgpsahsa-l}}
-{{#set: molecular-weight=213.256}}
+{{#set: molecular-weight=842.848}}