Difference between revisions of "SECOLOGANIN-CPD"

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(Created page with "Category:metabolite == Metabolite CPD-8609 == * common-name: ** 4,4-dimethyl-5-α-cholesta-8,14-dien-3-β-ol * smiles: ** cc(c)cccc([ch]4(c1(c)(c(c2(=c(cc1)c3(c)(...")
(Created page with "Category:metabolite == Metabolite SECOLOGANIN-CPD == * common-name: ** secologanin * smiles: ** c=c[ch]1(c(oc=c(c(=o)oc)[ch](cc=o)1)oc2(oc(co)c(o)c(o)c(o)2)) * inchi-key:...")
 
(One intermediate revision by one other user not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-8609 ==
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== Metabolite SECOLOGANIN-CPD ==
 
* common-name:
 
* common-name:
** 4,4-dimethyl-5-α-cholesta-8,14-dien-3-β-ol
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** secologanin
 
* smiles:
 
* smiles:
** cc(c)cccc([ch]4(c1(c)(c(c2(=c(cc1)c3(c)([ch](cc2)c(c)(c)c(o)cc3)))=cc4)))c
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** c=c[ch]1(c(oc=c(c(=o)oc)[ch](cc=o)1)oc2(oc(co)c(o)c(o)c(o)2))
 
* inchi-key:
 
* inchi-key:
** ogqjuyxfioftma-pbjlwwpksa-n
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** cskkdsfetglmsb-nrzpkykesa-n
 
* molecular-weight:
 
* molecular-weight:
** 412.698
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** 388.371
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-14]]
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* [[STRICTOSIDINE-SYNTHASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13707]]
 
* [[RXN66-13]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4,4-dimethyl-5-α-cholesta-8,14-dien-3-β-ol}}
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{{#set: common-name=secologanin}}
{{#set: inchi-key=inchikey=ogqjuyxfioftma-pbjlwwpksa-n}}
+
{{#set: inchi-key=inchikey=cskkdsfetglmsb-nrzpkykesa-n}}
{{#set: molecular-weight=412.698}}
+
{{#set: molecular-weight=388.371}}

Latest revision as of 11:17, 18 March 2021

Metabolite SECOLOGANIN-CPD

  • common-name:
    • secologanin
  • smiles:
    • c=c[ch]1(c(oc=c(c(=o)oc)[ch](cc=o)1)oc2(oc(co)c(o)c(o)c(o)2))
  • inchi-key:
    • cskkdsfetglmsb-nrzpkykesa-n
  • molecular-weight:
    • 388.371

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality