Difference between revisions of "CPD-19489"

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(Created page with "Category:metabolite == Metabolite CPD-15654 == * common-name: ** 2-trans, 4-cis-undecadienoyl-coa * smiles: ** ccccccc=cc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(...")
(Created page with "Category:metabolite == Metabolite CPD-19489 == * common-name: ** 3-isopropyl-8-(methylthio)-2-oxooctanoate * smiles: ** cscccccc(c(=o)c(=o)[o-])c(=o)[o-] * inchi-key: ** y...")
 
(3 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15654 ==
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== Metabolite CPD-19489 ==
 
* common-name:
 
* common-name:
** 2-trans, 4-cis-undecadienoyl-coa
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** 3-isopropyl-8-(methylthio)-2-oxooctanoate
 
* smiles:
 
* smiles:
** ccccccc=cc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
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** cscccccc(c(=o)c(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** szkpluulggerfd-nfpsboapsa-j
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** yobcouzbifvtfn-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 927.749
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** 246.278
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14776]]
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* [[RXN-18204]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14775]]
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* [[RXN-18204]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-trans, 4-cis-undecadienoyl-coa}}
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{{#set: common-name=3-isopropyl-8-(methylthio)-2-oxooctanoate}}
{{#set: inchi-key=inchikey=szkpluulggerfd-nfpsboapsa-j}}
+
{{#set: inchi-key=inchikey=yobcouzbifvtfn-uhfffaoysa-l}}
{{#set: molecular-weight=927.749}}
+
{{#set: molecular-weight=246.278}}

Latest revision as of 11:14, 18 March 2021

Metabolite CPD-19489

  • common-name:
    • 3-isopropyl-8-(methylthio)-2-oxooctanoate
  • smiles:
    • cscccccc(c(=o)c(=o)[o-])c(=o)[o-]
  • inchi-key:
    • yobcouzbifvtfn-uhfffaoysa-l
  • molecular-weight:
    • 246.278

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality