Difference between revisions of "CPD-14115"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUTARYL-COA GLUTARYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=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:...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUTARYL-COA GLUTARYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=SYKWLIJQEHRDNH-CKRMAKSASA-I
+
** InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N
 
* common name:
 
* common name:
−
** glutaryl-CoA
+
** (S)-equol
 
* molecular weight:
 
* molecular weight:
−
** 876.595    
+
** 242.274    
 
* Synonym(s):
 
* Synonym(s):
−
** glutaryl-coenzyme A
+
** 4',7-isoflavandiol
−
** 4-carboxybutanoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[2-KETO-ADIPATE-DEHYDROG-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8032]]
+
* [[RXN-15589]]
 
== External links  ==
 
== External links  ==
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00527 C00527]
+
** [http://www.genome.jp/dbget-bin/www_bget?C14131 C14131]
 +
* Wikipedia : Equol
 +
* HMDB : HMDB02209
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57378 57378]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34741 34741]
−
* METABOLIGHTS : MTBLC57378
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266604 45266604]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91469 91469]
−
* HMDB : HMDB01339
+
{{#set: smiles=C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
{{#set: inchi key=InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N}}
−
{{#set: inchi key=InChIKey=SYKWLIJQEHRDNH-CKRMAKSASA-I}}
+
{{#set: common name=(S)-equol}}
−
{{#set: common name=glutaryl-CoA}}
+
{{#set: molecular weight=242.274   }}
−
{{#set: molecular weight=876.595   }}
+
{{#set: common name=4',7-isoflavandiol}}
−
{{#set: common name=glutaryl-coenzyme A|4-carboxybutanoyl-CoA}}
+
{{#set: reversible reaction associated=RXN-15589}}
−
{{#set: produced by=2-KETO-ADIPATE-DEHYDROG-RXN}}
+
−
{{#set: reversible reaction associated=RXN-8032}}
+

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:




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