Difference between revisions of "PWY-I9"

From metabolic_network
Jump to navigation Jump to search
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXYINDOLE_ACETATE 5-HYDROXYINDOLE_ACETATE] == * common-name: ** 5-hydroxyindole acetate *...")
 
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] == * common-name: ** (s)-equol * smiles: ** c3(c(c1(cc2(=cc=c(c=c(oc1)2)o)...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXYINDOLE_ACETATE 5-HYDROXYINDOLE_ACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] ==
 
* common-name:
 
* common-name:
** 5-hydroxyindole acetate
+
** (s)-equol
 
* smiles:
 
* smiles:
** c1(c(o)=cc2(=c(c=1)nc=c2cc(=o)[o-]))
+
** c3(c(c1(cc2(=cc=c(c=c(oc1)2)o)))=cc=c(c=3)o)
 
* inchi-key:
 
* inchi-key:
** duugkqcegzlzno-uhfffaoysa-m
+
** adfcqwzhkcxpaj-gfccvegcsa-n
 
* molecular-weight:
 
* molecular-weight:
** 190.178
+
** 242.274
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-15589]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10780]]
+
* [[RXN-15589]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5-hydroxyindole acetate}}
+
{{#set: common-name=(s)-equol}}
{{#set: inchi-key=inchikey=duugkqcegzlzno-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=adfcqwzhkcxpaj-gfccvegcsa-n}}
{{#set: molecular-weight=190.178}}
+
{{#set: molecular-weight=242.274}}

Revision as of 14:18, 26 August 2019

Metabolite CPD-14115

  • common-name:
    • (s)-equol
  • smiles:
    • c3(c(c1(cc2(=cc=c(c=c(oc1)2)o)))=cc=c(c=3)o)
  • inchi-key:
    • adfcqwzhkcxpaj-gfccvegcsa-n
  • molecular-weight:
    • 242.274

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality