Difference between revisions of "CPD-14115"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7061 CPD-7061] == * smiles: ** C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] == * smiles: ** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) * inchi key:...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7061 CPD-7061] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] ==
 
* smiles:
 
* smiles:
** C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))
+
** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)
 
* inchi key:
 
* inchi key:
** InChIKey=UXWYEAZHZLZDGM-ZVEVZSNKSA-M
+
** InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N
 
* common name:
 
* common name:
** pheophorbide a
+
** (S)-equol
 
* molecular weight:
 
* molecular weight:
** 590.677    
+
** 242.274    
 
* Synonym(s):
 
* Synonym(s):
** pheide a
+
** 4',7-isoflavandiol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17252]]
 
* [[RXN-7740]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-15589]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658422 90658422]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.4481064.html 4481064]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58687 58687]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C18021 C18021]
+
** [http://www.genome.jp/dbget-bin/www_bget?C14131 C14131]
{{#set: smiles=C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))}}
+
* Wikipedia : Equol
{{#set: inchi key=InChIKey=UXWYEAZHZLZDGM-ZVEVZSNKSA-M}}
+
* HMDB : HMDB02209
{{#set: common name=pheophorbide a}}
+
* CHEBI:
{{#set: molecular weight=590.677   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34741 34741]
{{#set: common name=pheide a}}
+
* PUBCHEM:
{{#set: consumed by=RXN-17252|RXN-7740}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91469 91469]
 +
{{#set: smiles=C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)}}
 +
{{#set: inchi key=InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N}}
 +
{{#set: common name=(S)-equol}}
 +
{{#set: molecular weight=242.274   }}
 +
{{#set: common name=4',7-isoflavandiol}}
 +
{{#set: reversible reaction associated=RXN-15589}}

Latest revision as of 19:08, 21 March 2018

Metabolite CPD-14115

  • smiles:
    • C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)
  • inchi key:
    • InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N
  • common name:
    • (S)-equol
  • molecular weight:
    • 242.274
  • Synonym(s):
    • 4',7-isoflavandiol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • Wikipedia : Equol
  • HMDB : HMDB02209
  • CHEBI:
  • PUBCHEM: