Difference between revisions of "CPD-17932"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARNOSINE CARNOSINE] == * smiles: ** C(CC(=O)NC(CC1(=CNC=N1))C([O-])=O)[N+] * inchi key: ** InC...")
(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: *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARNOSINE CARNOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] ==
 
* smiles:
 
* smiles:
** C(CC(=O)NC(CC1(=CNC=N1))C([O-])=O)[N+]
+
** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
 
* inchi key:
 
* inchi key:
** InChIKey=CQOVPNPJLQNMDC-ZETCQYMHSA-N
+
** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
 
* common name:
 
* common name:
** carnosine
+
** isoliquiritigenin
 
* molecular weight:
 
* molecular weight:
** 226.235    
+
** 256.257    
 
* Synonym(s):
 
* Synonym(s):
** ignotine
+
** 42'4'-trihydroxychalcone
** N-β-alanyl-L-histidine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-3221]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CARNOSINE-SYNTHASE-RXN]]
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* [[RXN-3142]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB03285
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638278 638278]
 +
* HMDB : HMDB37316
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00386 C00386]
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** [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=57485 57485]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
* METABOLIGHTS : MTBLC15727
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* METABOLIGHTS : MTBLC310312
* PUBCHEM:
+
{{#set: smiles=C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6992100 6992100]
+
{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
* HMDB : HMDB00033
+
{{#set: common name=isoliquiritigenin}}
{{#set: smiles=C(CC(=O)NC(CC1(=CNC=N1))C([O-])=O)[N+]}}
+
{{#set: molecular weight=256.257   }}
{{#set: inchi key=InChIKey=CQOVPNPJLQNMDC-ZETCQYMHSA-N}}
+
{{#set: common name=42'4'-trihydroxychalcone}}
{{#set: common name=carnosine}}
+
{{#set: consumed by=RXN-3221}}
{{#set: molecular weight=226.235   }}
+
{{#set: produced by=RXN-3142}}
{{#set: common name=ignotine|N-β-alanyl-L-histidine}}
+
{{#set: produced by=CARNOSINE-SYNTHASE-RXN}}
+

Revision as of 18:22, 18 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