Difference between revisions of "CPD-11408"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-KYNURENINASE-RXN 3-HYDROXY-KYNURENINASE-RXN] == * direction: ** LEFT-TO-RIGHT * common na...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] == * smiles: ** C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-KYNURENINASE-RXN 3-HYDROXY-KYNURENINASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)
 
* common name:
 
* common name:
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** kynureninase
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** triiodothyronine sulfate
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/3.7.1.3 EC-3.7.1.3]
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** InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
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* molecular weight:
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** 730.028   
 
* Synonym(s):
 
* Synonym(s):
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** triiodothyronine sulfuric ester
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** 3,3',5-triiodo-L-thyronine sulfate
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** 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
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** L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
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** (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[WATER]][c] '''+''' 1 [[3-HYDROXY-L-KYNURENINE]][c] '''=>''' 1 [[3-HYDROXY-ANTHRANILATE]][c] '''+''' 1 [[L-ALPHA-ALANINE]][c] '''+''' 1 [[PROTON]][c]
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* [[RXN-10615]]
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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 3-hydroxy-L-kynurenine[c] '''=>''' 1 3-hydroxyanthranilate[c] '''+''' 1 L-alanine[c] '''+''' 1 H+[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_10685]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_10684]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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== Pathways  ==
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* [[PWY-5651]], L-tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5651 PWY-5651]
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** '''4''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6309]], L-tryptophan degradation XI (mammalian, via kynurenine): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6309 PWY-6309]
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** '''9''' reactions found over '''17''' 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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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=25143 25143]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657986 90657986]
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* LIGAND-RXN:
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* CHEBI:
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** [http://www.genome.jp/dbget-bin/www_bget?R02668 R02668]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35432 35432]
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{{#set: direction=LEFT-TO-RIGHT}}
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* METABOLIGHTS : MTBLC35432
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{{#set: common name=kynureninase}}
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* HMDB : HMDB03036
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{{#set: ec number=EC-3.7.1.3}}
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{{#set: smiles=C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)}}
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{{#set: gene associated=Tiso_gene_10685|Tiso_gene_10684}}
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{{#set: common name=triiodothyronine sulfate}}
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{{#set: in pathway=PWY-5651|PWY-6309}}
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{{#set: inchi key=InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M}}
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{{#set: reconstruction category=annotation}}
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{{#set: molecular weight=730.028    }}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: common name=triiodothyronine sulfuric ester|3,3',5-triiodo-L-thyronine sulfate|3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine|L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-|(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: produced by=RXN-10615}}

Latest revision as of 20:37, 21 March 2018

Metabolite CPD-11408

  • smiles:
    • C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)
  • common name:
    • triiodothyronine sulfate
  • inchi key:
    • InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
  • molecular weight:
    • 730.028
  • Synonym(s):
    • triiodothyronine sulfuric ester
    • 3,3',5-triiodo-L-thyronine sulfate
    • 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
    • L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
    • (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEBI:
  • METABOLIGHTS : MTBLC35432
  • HMDB : HMDB03036
"C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)" cannot be used as a page name in this wiki.


  • "3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine" cannot be used as a page name in this wiki.
  • "(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid" cannot be used as a page name in this wiki.
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