Difference between revisions of "CPD-3766"

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(Created page with "Category:metabolite == Metabolite CPD-19072 == * common-name: ** (25s)-3β-hydroxycholest-5-en-26-oate * smiles: ** cc(cccc(c(=o)[o-])c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)...")
(Created page with "Category:metabolite == Metabolite CPD-14485 == * common-name: ** glycyrrhetaldehyde * smiles: ** cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc([ch]=o)(c)cc5...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-19072 ==
+
== Metabolite CPD-14485 ==
 
* common-name:
 
* common-name:
** (25s)-3β-hydroxycholest-5-en-26-oate
+
** glycyrrhetaldehyde
 
* smiles:
 
* smiles:
** cc(cccc(c(=o)[o-])c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
+
** cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc([ch]=o)(c)cc5)c))))
 
* inchi-key:
 
* inchi-key:
** wvxomprlwlxfap-ddmwtqrysa-m
+
** otknpgbtqxvjnh-dfrazxlmsa-n
 
* molecular-weight:
 
* molecular-weight:
** 415.635
+
** 454.692
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13494]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12701]]
+
* [[RXN-13493]]
* [[RXN-17654]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(25s)-3β-hydroxycholest-5-en-26-oate}}
+
{{#set: common-name=glycyrrhetaldehyde}}
{{#set: inchi-key=inchikey=wvxomprlwlxfap-ddmwtqrysa-m}}
+
{{#set: inchi-key=inchikey=otknpgbtqxvjnh-dfrazxlmsa-n}}
{{#set: molecular-weight=415.635}}
+
{{#set: molecular-weight=454.692}}

Revision as of 08:24, 15 March 2021

Metabolite CPD-14485

  • common-name:
    • glycyrrhetaldehyde
  • smiles:
    • cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc([ch]=o)(c)cc5)c))))
  • inchi-key:
    • otknpgbtqxvjnh-dfrazxlmsa-n
  • molecular-weight:
    • 454.692

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality