Difference between revisions of "CPD-11408"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=B-ALANINE B-ALANINE] == * smiles: ** C(C[N+])C([O-])=O * inchi key: ** InChIKey=UCMIRNVEIXFBKS-...")
 
(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-...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=B-ALANINE B-ALANINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] ==
 
* smiles:
 
* smiles:
** C(C[N+])C([O-])=O
+
** C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)
 
* inchi key:
 
* inchi key:
** InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
+
** InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
 
* common name:
 
* common name:
** β-alanine
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** triiodothyronine sulfate
 
* molecular weight:
 
* molecular weight:
** 89.094    
+
** 730.028    
 
* Synonym(s):
 
* Synonym(s):
** 3-azaniumylpropanoate
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** triiodothyronine sulfuric ester
** 3-ammoniopropanoate
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** 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 consume the compound ==
* [[PANTOATE-BETA-ALANINE-LIG-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BETA-UREIDOPROPIONASE-RXN]]
+
* [[RXN-10615]]
* [[RXN-6382]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 107-95-9
 
* BIGG : 33848
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4755801 4755801]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657986 90657986]
* HMDB : HMDB00056
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00099 C00099]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57966 57966]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35432 35432]
* METABOLIGHTS : MTBLC57966
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* METABOLIGHTS : MTBLC35432
{{#set: smiles=C(C[N+])C([O-])=O}}
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* HMDB : HMDB03036
{{#set: inchi key=InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N}}
+
{{#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: common name=β-alanine}}
+
{{#set: inchi key=InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M}}
{{#set: molecular weight=89.094   }}
+
{{#set: common name=triiodothyronine sulfate}}
{{#set: common name=3-azaniumylpropanoate|3-ammoniopropanoate}}
+
{{#set: molecular weight=730.028   }}
{{#set: consumed by=PANTOATE-BETA-ALANINE-LIG-RXN}}
+
{{#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: produced by=BETA-UREIDOPROPIONASE-RXN|RXN-6382}}
+
{{#set: produced by=RXN-10615}}

Latest revision as of 19:22, 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)
  • inchi key:
    • InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
  • common name:
    • triiodothyronine sulfate
  • 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.