Difference between revisions of "CPD-7247"

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(Created page with "Category:metabolite == Metabolite ENT-KAUR-16-EN-19-AL == * common-name: ** ent-kaurenal * smiles: ** c=c1(c4(cc3(c1)(cc[ch]2(c(c)(c=o)cccc(c)2[ch]3cc4)))) * inchi-key: **...")
(Created page with "Category:metabolite == Metabolite CPD-12897 == * common-name: ** 7-methyl-3-oxooct-6-enoyl-coa * smiles: ** cc(c)=cccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ENT-KAUR-16-EN-19-AL ==
+
== Metabolite CPD-12897 ==
 
* common-name:
 
* common-name:
** ent-kaurenal
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** 7-methyl-3-oxooct-6-enoyl-coa
 
* smiles:
 
* smiles:
** c=c1(c4(cc3(c1)(cc[ch]2(c(c)(c=o)cccc(c)2[ch]3cc4))))
+
** cc(c)=cccc(=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-]
 
* inchi-key:
 
* inchi-key:
** jcavdwhqnftfbw-xrnrsjmdsa-n
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** lpmixvanmseery-fueukbnzsa-j
 
* molecular-weight:
 
* molecular-weight:
** 286.456
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** 915.695
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7580]]
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* [[RXN-11917]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-5242]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=ent-kaurenal}}
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{{#set: common-name=7-methyl-3-oxooct-6-enoyl-coa}}
{{#set: inchi-key=inchikey=jcavdwhqnftfbw-xrnrsjmdsa-n}}
+
{{#set: inchi-key=inchikey=lpmixvanmseery-fueukbnzsa-j}}
{{#set: molecular-weight=286.456}}
+
{{#set: molecular-weight=915.695}}

Revision as of 13:08, 14 January 2021

Metabolite CPD-12897

  • common-name:
    • 7-methyl-3-oxooct-6-enoyl-coa
  • smiles:
    • cc(c)=cccc(=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-]
  • inchi-key:
    • lpmixvanmseery-fueukbnzsa-j
  • molecular-weight:
    • 915.695

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality