Difference between revisions of "CPD-11408"

From metabolic_network
Jump to: navigation, search
(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-...")
 
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-KYNURENINASE-RXN 3-HYDROXY-KYNURENINASE-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** 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:
−
** kynureninase
+
** triiodothyronine sulfate
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/3.7.1.3 EC-3.7.1.3]
+
** InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
 +
* molecular weight:
 +
** 730.028   
 
* Synonym(s):
 
* 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 Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[WATER]][c] '''+''' 1 [[3-HYDROXY-L-KYNURENINE]][c] '''=>''' 1 [[3-HYDROXY-ANTHRANILATE]][c] '''+''' 1 [[L-ALPHA-ALANINE]][c] '''+''' 1 [[PROTON]][c]
+
* [[RXN-10615]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 H2O[c] '''+''' 1 3-hydroxy-L-kynurenine[c] '''=>''' 1 3-hydroxyanthranilate[c] '''+''' 1 L-alanine[c] '''+''' 1 H+[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* Gene: [[Tiso_gene_10685]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Assignment: EC-NUMBER
+
−
* Gene: [[Tiso_gene_10684]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Assignment: EC-NUMBER
+
−
== Pathways  ==
+
−
* [[PWY-5651]], L-tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5651 PWY-5651]
+
−
** '''4''' reactions found over '''5''' reactions in the full pathway
+
−
* [[PWY-6309]], L-tryptophan degradation XI (mammalian, via kynurenine): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6309 PWY-6309]
+
−
** '''9''' reactions found over '''17''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=25143 25143]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657986 90657986]
−
* LIGAND-RXN:
+
* CHEBI:
−
** [http://www.genome.jp/dbget-bin/www_bget?R02668 R02668]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35432 35432]
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* METABOLIGHTS : MTBLC35432
−
{{#set: common name=kynureninase}}
+
* HMDB : HMDB03036
−
{{#set: ec number=EC-3.7.1.3}}
+
{{#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)}}
−
{{#set: gene associated=Tiso_gene_10685|Tiso_gene_10684}}
+
{{#set: common name=triiodothyronine sulfate}}
−
{{#set: in pathway=PWY-5651|PWY-6309}}
+
{{#set: inchi key=InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M}}
−
{{#set: reconstruction category=annotation}}
+
{{#set: molecular weight=730.028    }}
−
{{#set: reconstruction source=annotation-in-silico_annotation}}
+
{{#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}}
−
{{#set: reconstruction tool=pathwaytools}}
+
{{#set: produced by=RXN-10615}}

Latest revision as of 19:37, 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.
Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-11408&oldid=42843"