Difference between revisions of "CPD-3041"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SUPER-OXIDE SUPER-OXIDE] == * smiles: ** [O-]O * inchi key: ** InChIKey=OUUQCZGPVNCOIJ-UHFFFAOY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] == * smiles: ** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2) * inchi key: *...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SUPER-OXIDE SUPER-OXIDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] ==
 
* smiles:
 
* smiles:
** [O-]O
+
** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
 
* inchi key:
 
* inchi key:
** InChIKey=OUUQCZGPVNCOIJ-UHFFFAOYSA-M
+
** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
 
* common name:
 
* common name:
** superoxide
+
** isoliquiritigenin
 
* molecular weight:
 
* molecular weight:
** 31.999    
+
** 256.257    
 
* Synonym(s):
 
* Synonym(s):
** superoxide anion
+
** 42'4'-trihydroxychalcone
** peroxide radical
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[SUPEROX-DISMUT-RXN]]
+
* [[RXN-3221]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-3142]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : 35743
+
* DRUGBANK : DB03285
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5359597 5359597]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638278 638278]
* HMDB : HMDB02168
+
* HMDB : HMDB37316
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00704 C00704]
+
** [http://www.genome.jp/dbget-bin/www_bget?C08650 C08650]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.553829.html 553829]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18421 18421]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
* METABOLIGHTS : MTBLC18421
+
* METABOLIGHTS : MTBLC310312
{{#set: smiles=[O-]O}}
+
{{#set: smiles=C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)}}
{{#set: inchi key=InChIKey=OUUQCZGPVNCOIJ-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
{{#set: common name=superoxide}}
+
{{#set: common name=isoliquiritigenin}}
{{#set: molecular weight=31.999   }}
+
{{#set: molecular weight=256.257   }}
{{#set: common name=superoxide anion|peroxide radical}}
+
{{#set: common name=42'4'-trihydroxychalcone}}
{{#set: consumed by=SUPEROX-DISMUT-RXN}}
+
{{#set: consumed by=RXN-3221}}
 +
{{#set: produced by=RXN-3142}}

Latest revision as of 19:22, 21 March 2018

Metabolite CPD-3041

  • smiles:
    • C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
  • inchi key:
    • InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
  • common name:
    • isoliquiritigenin
  • molecular weight:
    • 256.257
  • Synonym(s):
    • 42'4'-trihydroxychalcone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB03285
  • PUBCHEM:
  • HMDB : HMDB37316
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC310312