Difference between revisions of "DETHIOBIOTIN"

Latest revision as of 11:11, 18 March 2021

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