Difference between revisions of "CPD-7953"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15289 RXN-15289] == * direction: ** LEFT-TO-RIGHT * common name: ** luteolin triglucoronide &be...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7953 CPD-7953] == * smiles: ** CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15289 RXN-15289] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7953 CPD-7953] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C)C)C)C
 
* common name:
 
* common name:
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** luteolin triglucoronide β-glucuronidase
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** torulene
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** beta-glucuronidase
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* inchi key:
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* ec number:
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** InChIKey=AIBOHNYYKWYQMM-IQKLXLPLSA-N
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** [http://enzyme.expasy.org/EC/3.2.1.31 EC-3.2.1.31]
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* molecular weight:
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** 534.867   
 
* Synonym(s):
 
* Synonym(s):
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** 3',4'-didehydro-β,ψ-carotene
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN-11989]]
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** 1 [[WATER]][c] '''+''' 1 [[LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2]][c] '''=>''' 1 [[LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE]][c] '''+''' 1 [[CPD-12521]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H2O[c] '''+''' 1 luteolin 7-O-[β-D-glucosyluronate-(1,2)-β-D-glucosiduronate]-4'-O-β-D-glucosiduronate[c] '''=>''' 1 luteolin 7-O-β-D-diglucuronide[c] '''+''' 1 β-D-glucuronate[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* Gene: [[Tiso_gene_13087]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY-7445]], luteolin triglucuronide degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7445 PWY-7445]
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** '''3''' reactions found over '''4''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=luteolin triglucoronide β-glucuronidase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10218186 10218186]
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{{#set: common name=beta-glucuronidase}}
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* CHEMSPIDER:
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{{#set: ec number=EC-3.2.1.31}}
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** [http://www.chemspider.com/Chemical-Structure.8393678.html 8393678]
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{{#set: gene associated=Tiso_gene_13087}}
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* CHEBI:
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{{#set: in pathway=PWY-7445}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=9638 9638]
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{{#set: reconstruction category=annotation}}
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* LIGAND-CPD:
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08613 C08613]
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: smiles=CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C)C)C)C}}
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{{#set: common name=torulene}}
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{{#set: inchi key=InChIKey=AIBOHNYYKWYQMM-IQKLXLPLSA-N}}
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{{#set: molecular weight=534.867    }}
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{{#set: common name=3',4'-didehydro-β,ψ-carotene}}
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{{#set: consumed by=RXN-11989}}

Latest revision as of 19:09, 21 March 2018

Metabolite CPD-7953

  • smiles:
    • CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C)C)C)C
  • common name:
    • torulene
  • inchi key:
    • InChIKey=AIBOHNYYKWYQMM-IQKLXLPLSA-N
  • molecular weight:
    • 534.867
  • Synonym(s):
    • 3',4'-didehydro-β,ψ-carotene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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