Difference between revisions of "CPD-17050"

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(Created page with "Category:metabolite == Metabolite CPDQT-40 == * common-name: ** 3-[(7'-methylthio)heptyl]malate * smiles: ** cscccccccc(c(o)c(=o)[o-])c(=o)[o-] * inchi-key: ** sxljfgxgvbw...")
(Created page with "Category:metabolite == Metabolite CPD-17050 == * common-name: ** 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine * smiles: ** c(o)c23(ssc(cc1(=cc=cc=c1))(nc(=o)...")
 
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPDQT-40 ==
+
== Metabolite CPD-17050 ==
 
* common-name:
 
* common-name:
** 3-[(7'-methylthio)heptyl]malate
+
** 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine
 
* smiles:
 
* smiles:
** cscccccccc(c(o)c(=o)[o-])c(=o)[o-]
+
** c(o)c23(ssc(cc1(=cc=cc=c1))(nc(=o)2)c(=o)n3)
 
* inchi-key:
 
* inchi-key:
** sxljfgxgvbwoob-uhfffaoysa-l
+
** poiijaagmgnxlo-vxgbxaggsa-n
 
* molecular-weight:
 
* molecular-weight:
** 276.347
+
** 296.358
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-18200]]
 
* [[RXNQT-4178]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-18200]]
+
* [[RXN-15684]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-[(7'-methylthio)heptyl]malate}}
+
{{#set: common-name=3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine}}
{{#set: inchi-key=inchikey=sxljfgxgvbwoob-uhfffaoysa-l}}
+
{{#set: inchi-key=inchikey=poiijaagmgnxlo-vxgbxaggsa-n}}
{{#set: molecular-weight=276.347}}
+
{{#set: molecular-weight=296.358}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-17050

  • common-name:
    • 3-benzyl-3,6 -disulfide-6-(hydroxymethyl)-diketopiperazine
  • smiles:
    • c(o)c23(ssc(cc1(=cc=cc=c1))(nc(=o)2)c(=o)n3)
  • inchi-key:
    • poiijaagmgnxlo-vxgbxaggsa-n
  • molecular-weight:
    • 296.358

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality