Difference between revisions of "PRENAL"

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(Created page with "Category:metabolite == Metabolite CPD-19153 == * common-name: ** 3-oxo-(5z)-dodecenoyl-coa * smiles: ** ccccccc=ccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ...")
(Created page with "Category:metabolite == Metabolite PRENAL == * common-name: ** 3-methyl-2-butenal * smiles: ** cc(=c[ch]=o)c * inchi-key: ** sepqtyodoklvsb-uhfffaoysa-n * molecular-weight:...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-19153 ==
+
== Metabolite PRENAL ==
 
* common-name:
 
* common-name:
** 3-oxo-(5z)-dodecenoyl-coa
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** 3-methyl-2-butenal
 
* smiles:
 
* smiles:
** ccccccc=ccc(=o)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-]
+
** cc(=c[ch]=o)c
 
* inchi-key:
 
* inchi-key:
** vklhslowdwgvgp-cggpsvllsa-j
+
** sepqtyodoklvsb-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 957.775
+
** 84.118
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17799]]
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* [[1.5.99.12-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-17798]]
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* [[1.5.99.12-RXN]]
 +
* [[1.8.3.5-RXN]]
 +
* [[RXN-11989]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-(5z)-dodecenoyl-coa}}
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{{#set: common-name=3-methyl-2-butenal}}
{{#set: inchi-key=inchikey=vklhslowdwgvgp-cggpsvllsa-j}}
+
{{#set: inchi-key=inchikey=sepqtyodoklvsb-uhfffaoysa-n}}
{{#set: molecular-weight=957.775}}
+
{{#set: molecular-weight=84.118}}

Latest revision as of 11:14, 18 March 2021

Metabolite PRENAL

  • common-name:
    • 3-methyl-2-butenal
  • smiles:
    • cc(=c[ch]=o)c
  • inchi-key:
    • sepqtyodoklvsb-uhfffaoysa-n
  • molecular-weight:
    • 84.118

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality