Difference between revisions of "Gap-filling"

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(Created page with "Category:metabolite == Metabolite CPD-14602 == * common-name: ** mycophenolic acid o-acyl-glucuronide * smiles: ** cc(ccc(oc1(c(o)c(c(o)c(c([o-])=o)o1)o))=o)=ccc2(=c(c(c)=...")
(Created page with "Category:metabolite == Metabolite 2-TRANS6-TRANS-FARNESAL == * common-name: ** (2e,6e)-farnesal * smiles: ** cc(c)=cccc(c)=cccc(c)=c[ch]=o * inchi-key: ** yhruhbbtqzkmex-y...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14602 ==
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== Metabolite 2-TRANS6-TRANS-FARNESAL ==
 
* common-name:
 
* common-name:
** mycophenolic acid o-acyl-glucuronide
+
** (2e,6e)-farnesal
 
* smiles:
 
* smiles:
** cc(ccc(oc1(c(o)c(c(o)c(c([o-])=o)o1)o))=o)=ccc2(=c(c(c)=c3(coc(=o)c(=c(o)2)3))oc)
+
** cc(c)=cccc(c)=cccc(c)=c[ch]=o
 
* inchi-key:
 
* inchi-key:
** qbmstezxamabff-uearnrkisa-m
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** yhruhbbtqzkmex-yfvjmotdsa-n
 
* molecular-weight:
 
* molecular-weight:
** 495.459
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** 220.354
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13605]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13607]]
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* [[RXN-11623]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=mycophenolic acid o-acyl-glucuronide}}
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{{#set: common-name=(2e,6e)-farnesal}}
{{#set: inchi-key=inchikey=qbmstezxamabff-uearnrkisa-m}}
+
{{#set: inchi-key=inchikey=yhruhbbtqzkmex-yfvjmotdsa-n}}
{{#set: molecular-weight=495.459}}
+
{{#set: molecular-weight=220.354}}

Revision as of 08:32, 15 March 2021

Metabolite 2-TRANS6-TRANS-FARNESAL

  • common-name:
    • (2e,6e)-farnesal
  • smiles:
    • cc(c)=cccc(c)=cccc(c)=c[ch]=o
  • inchi-key:
    • yhruhbbtqzkmex-yfvjmotdsa-n
  • molecular-weight:
    • 220.354

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality