Difference between revisions of "L-THYROXINE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14604 CPD-14604] == * smiles: ** CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-THYROXINE L-THYROXINE] == * smiles: ** C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14604 CPD-14604] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-THYROXINE L-THYROXINE] ==
 
* smiles:
 
* smiles:
** CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)
+
** C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))
 
* common name:
 
* common name:
** mycophenolic acid phenolic glucuronide
+
** L-thyroxine
 
* inchi key:
 
* inchi key:
** InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-L
+
** InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N
 
* molecular weight:
 
* molecular weight:
** 494.451    
+
** 776.874    
 
* Synonym(s):
 
* Synonym(s):
 +
** levothyroxine
 +
** 3,3',5,5'-tetraiodo-L-thyronine
 +
** 3,5,3',5'-tetraiodo-L-thyronine
 +
** 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine
 +
** levothyroxin
 +
** O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
 +
** T4
 +
** L-T4
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10614]]
 +
* [[RXN-10606]]
 +
* [[RXN-10608]]
 +
* [[THYROXINE-DEIODINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13608]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 51-48-9
 +
* DRUGBANK : DB00451
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657160 90657160]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201348 25201348]
{{#set: smiles=CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)}}
+
* HMDB : HMDB00248
{{#set: common name=mycophenolic acid phenolic glucuronide}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=BYFGTSAYQQIUCN-HGIHDBQLSA-L}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01829 C01829]
{{#set: molecular weight=494.451   }}
+
* CHEMSPIDER:
{{#set: produced by=RXN-13608}}
+
** [http://www.chemspider.com/Chemical-Structure.5614.html 5614]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58448 58448]
 +
* METABOLIGHTS : MTBLC18332
 +
{{#set: smiles=C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))}}
 +
{{#set: common name=L-thyroxine}}
 +
{{#set: inchi key=InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N}}
 +
{{#set: molecular weight=776.874   }}
 +
{{#set: common name=levothyroxine|3,3',5,5'-tetraiodo-L-thyronine|3,5,3',5'-tetraiodo-L-thyronine|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine|levothyroxin|O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine|T4|L-T4}}
 +
{{#set: consumed by=RXN-10614|RXN-10606|RXN-10608|THYROXINE-DEIODINASE-RXN}}

Latest revision as of 21:22, 21 March 2018

Metabolite L-THYROXINE

  • smiles:
    • C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))
  • common name:
    • L-thyroxine
  • inchi key:
    • InChIKey=XUIIKFGFIJCVMT-LBPRGKRZSA-N
  • molecular weight:
    • 776.874
  • Synonym(s):
    • levothyroxine
    • 3,3',5,5'-tetraiodo-L-thyronine
    • 3,5,3',5'-tetraiodo-L-thyronine
    • 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine
    • levothyroxin
    • O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
    • T4
    • L-T4

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 51-48-9
  • DRUGBANK : DB00451
  • PUBCHEM:
  • HMDB : HMDB00248
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18332
"C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))" cannot be used as a page name in this wiki.