Difference between revisions of "CPD-12015"

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(Created page with "Category:metabolite == Metabolite CPD-12015 == * common-name: ** 6-sulfatoxymelatonin * smiles: ** cc(=o)nccc1(c2(=c(nc=1)c=c(os([o-])(=o)=o)c(oc)=c2)) * inchi-key: ** qqe...")
(Created page with "Category:metabolite == Metabolite CPD-13040 == * common-name: ** 1,2-dibutyrin * smiles: ** cccc(occ(oc(ccc)=o)co)=o * inchi-key: ** awhaupzhzyuhom-vifpvbqesa-n * molecula...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-12015 ==
+
== Metabolite CPD-13040 ==
 
* common-name:
 
* common-name:
** 6-sulfatoxymelatonin
+
** 1,2-dibutyrin
 
* smiles:
 
* smiles:
** cc(=o)nccc1(c2(=c(nc=1)c=c(os([o-])(=o)=o)c(oc)=c2))
+
** cccc(occ(oc(ccc)=o)co)=o
 
* inchi-key:
 
* inchi-key:
** qqeilxdlzrltme-uhfffaoysa-m
+
** awhaupzhzyuhom-vifpvbqesa-n
 
* molecular-weight:
 
* molecular-weight:
** 327.331
+
** 232.276
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11058]]
+
* [[RXN-12086]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=6-sulfatoxymelatonin}}
+
{{#set: common-name=1,2-dibutyrin}}
{{#set: inchi-key=inchikey=qqeilxdlzrltme-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=awhaupzhzyuhom-vifpvbqesa-n}}
{{#set: molecular-weight=327.331}}
+
{{#set: molecular-weight=232.276}}

Revision as of 08:29, 15 March 2021

Metabolite CPD-13040

  • common-name:
    • 1,2-dibutyrin
  • smiles:
    • cccc(occ(oc(ccc)=o)co)=o
  • inchi-key:
    • awhaupzhzyuhom-vifpvbqesa-n
  • molecular-weight:
    • 232.276

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality