Difference between revisions of "SJ12458"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] == * common-name: ** 3-methylbutanol * smiles: ** cc(cco)c * inchi-key: ** p...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19488 CPD-19488] == * common-name: ** 3-isopropyl-9-(methylthio)-2-oxononanoate * smiles: *...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7032 CPD-7032] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19488 CPD-19488] ==
 
* common-name:
 
* common-name:
** 3-methylbutanol
+
** 3-isopropyl-9-(methylthio)-2-oxononanoate
 
* smiles:
 
* smiles:
** cc(cco)c
+
** csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** phtqwckdnzkarw-uhfffaoysa-n
+
** pbyokogrhhzthq-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 88.149
+
** 260.304
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7693]]
+
* [[RXN-18202]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7693]]
+
* [[RXN-18202]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-methylbutanol}}
+
{{#set: common-name=3-isopropyl-9-(methylthio)-2-oxononanoate}}
{{#set: inchi-key=inchikey=phtqwckdnzkarw-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=pbyokogrhhzthq-uhfffaoysa-l}}
{{#set: molecular-weight=88.149}}
+
{{#set: molecular-weight=260.304}}

Revision as of 09:23, 27 August 2019

Metabolite CPD-19488

  • common-name:
    • 3-isopropyl-9-(methylthio)-2-oxononanoate
  • smiles:
    • csccccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • pbyokogrhhzthq-uhfffaoysa-l
  • molecular-weight:
    • 260.304

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality