Difference between revisions of "CPD-3041"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-3-METHYL-GLUTARYL-COA 3-HYDROXY-3-METHYL-GLUTARYL-COA] == * smiles: ** CC(C)(C(O)C(=O...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-3-METHYL-GLUTARYL-COA 3-HYDROXY-3-METHYL-GLUTARYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=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-]
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** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
 +
* molecular weight:
 +
** 256.257   
 
* inchi key:
 
* inchi key:
−
** InChIKey=CABVTRNMFUVUDM-VRHQGPGLSA-I
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** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
 
* common name:
 
* common name:
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** (S)-3-hydroxy-3-methylglutaryl-CoA
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** isoliquiritigenin
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* molecular weight:
+
−
** 906.621   
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* Synonym(s):
 
* Synonym(s):
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** 3-hydroxy-3-methyl-glutaryl-CoA
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** 42'4'-trihydroxychalcone
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** HMG-CoA
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−
** hydroxymethylglutaryl-CoA
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−
** 3-hydroxy-3-methylglutaryl-coenzyme A
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−
** 3-Hydroxy-3-methylglutaryl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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* [[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 ==
−
* [[1.1.1.34-RXN]]
 
−
* [[HYDROXYMETHYLGLUTARYL-COA-REDUCTASE-RXN]]
 
−
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
 
== External links  ==
 
== External links  ==
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* CAS : 1553-55-5
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* METABOLIGHTS : MTBLC310312
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* PUBCHEM:
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−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5288565 5288565]
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−
* CHEBI:
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−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=43074 43074]
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* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00356 C00356]
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** [http://www.genome.jp/dbget-bin/www_bget?C08650 C08650]
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* HMDB : HMDB01375
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* HMDB : HMDB37316
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=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-]}}
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* CHEMSPIDER:
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{{#set: inchi key=InChIKey=CABVTRNMFUVUDM-VRHQGPGLSA-I}}
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** [http://www.chemspider.com/Chemical-Structure.553829.html 553829]
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{{#set: common name=(S)-3-hydroxy-3-methylglutaryl-CoA}}
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* CHEBI:
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{{#set: molecular weight=906.621    }}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
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{{#set: common name=3-hydroxy-3-methyl-glutaryl-CoA|HMG-CoA|hydroxymethylglutaryl-CoA|3-hydroxy-3-methylglutaryl-coenzyme A|3-Hydroxy-3-methylglutaryl-CoA}}
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* DRUGBANK : DB03285
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{{#set: consumed by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}
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* PUBCHEM:
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{{#set: consumed or produced by=1.1.1.34-RXN|HYDROXYMETHYLGLUTARYL-COA-REDUCTASE-RXN|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638278 638278]
 +
{{#set: smiles=C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)}}
 +
{{#set: molecular weight=256.257    }}
 +
{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
 +
{{#set: common name=isoliquiritigenin}}
 +
{{#set: common name=42'4'-trihydroxychalcone}}
 +
{{#set: consumed by=RXN-3221}}
 +
{{#set: produced by=RXN-3142}}

Latest revision as of 16:16, 9 January 2019

Metabolite CPD-3041

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

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




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