Difference between revisions of "CPD-10813"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXYINDOLE DIHYDROXYINDOLE] == * smiles: ** C1(=CNC2(=C1C=C(O)C(O)=C2)) * common name: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10813 CPD-10813] == * smiles: ** C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXYINDOLE DIHYDROXYINDOLE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10813 CPD-10813] ==
 
* smiles:
 
* smiles:
** C1(=CNC2(=C1C=C(O)C(O)=C2))
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** C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O
 
* common name:
 
* common name:
** 5,6-dihydroxyindole
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** 3,3',5'-triiodo-L-thyronine
 
* inchi key:
 
* inchi key:
** InChIKey=SGNZYJXNUURYCH-UHFFFAOYSA-N
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** InChIKey=HZCBWYNLGPIQRK-LBPRGKRZSA-N
 
* molecular weight:
 
* molecular weight:
** 149.149    
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** 650.978    
 
* Synonym(s):
 
* Synonym(s):
** 1H-indole-5,6-diol
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** reverse triiodothyronine
** dopamine lutine
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** rT3
** DHI
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** triiodothyronine, reverse
 +
** 4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine
 +
** O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10604]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11403]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB01811
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=114683 114683]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123465 44123465]
* HMDB : HMDB04058
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C05578 C05578]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.102690.html 102690]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27404 27404]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57261 57261]
{{#set: smiles=C1(=CNC2(=C1C=C(O)C(O)=C2))}}
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* METABOLIGHTS : MTBLC57261
{{#set: common name=5,6-dihydroxyindole}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=SGNZYJXNUURYCH-UHFFFAOYSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C07639 C07639]
{{#set: molecular weight=149.149   }}
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{{#set: smiles=C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O}}
{{#set: common name=1H-indole-5,6-diol|dopamine lutine|DHI}}
+
{{#set: common name=3,3',5'-triiodo-L-thyronine}}
{{#set: produced by=RXN-11403}}
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{{#set: inchi key=InChIKey=HZCBWYNLGPIQRK-LBPRGKRZSA-N}}
 +
{{#set: molecular weight=650.978   }}
 +
{{#set: common name=reverse triiodothyronine|rT3|triiodothyronine, reverse|4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine|O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine}}
 +
{{#set: consumed by=RXN-10604}}

Latest revision as of 20:17, 21 March 2018

Metabolite CPD-10813

  • smiles:
    • C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O
  • common name:
    • 3,3',5'-triiodo-L-thyronine
  • inchi key:
    • InChIKey=HZCBWYNLGPIQRK-LBPRGKRZSA-N
  • molecular weight:
    • 650.978
  • Synonym(s):
    • reverse triiodothyronine
    • rT3
    • triiodothyronine, reverse
    • 4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine
    • O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O" cannot be used as a page name in this wiki.