Difference between revisions of "CPD-11404"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14877 CPD-14877] == * smiles: ** CC(=O)NC1(=CC(C([O-])=O)=CC=C(O)1) * common name: ** 3-ace...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11404 CPD-11404] == * smiles: ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2)) * co...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14877 CPD-14877] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11404 CPD-11404] ==
 
* smiles:
 
* smiles:
** CC(=O)NC1(=CC(C([O-])=O)=CC=C(O)1)
+
** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))
 
* common name:
 
* common name:
** 3-acetylamino-4-hydroxybenzoate
+
** 3,3',5-triiodothyroacetate
 
* inchi key:
 
* inchi key:
** InChIKey=BXBFVCYLJXGOGI-UHFFFAOYSA-M
+
** InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 194.166    
+
** 620.928    
 
* Synonym(s):
 
* Synonym(s):
** 3-acetylamino-4-hydroxybenzoic acid
+
** 3,3',5-triiodothyroacetic acid
 +
** Triac
 +
** Tiratricol
 +
** Tiracana
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10618]]
 +
* [[RXN-10619]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-13870]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657256 90657256]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21679629 21679629]
{{#set: smiles=CC(=O)NC1(=CC(C([O-])=O)=CC=C(O)1)}}
+
* CHEMSPIDER:
{{#set: common name=3-acetylamino-4-hydroxybenzoate}}
+
** [http://www.chemspider.com/Chemical-Structure.10295972.html 10295972]
{{#set: inchi key=InChIKey=BXBFVCYLJXGOGI-UHFFFAOYSA-M}}
+
{{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))}}
{{#set: molecular weight=194.166   }}
+
{{#set: common name=3,3',5-triiodothyroacetate}}
{{#set: common name=3-acetylamino-4-hydroxybenzoic acid}}
+
{{#set: inchi key=InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-M}}
{{#set: reversible reaction associated=RXN-13870}}
+
{{#set: molecular weight=620.928   }}
 +
{{#set: common name=3,3',5-triiodothyroacetic acid|Triac|Tiratricol|Tiracana}}
 +
{{#set: consumed by=RXN-10618|RXN-10619}}

Latest revision as of 19:14, 21 March 2018

Metabolite CPD-11404

  • smiles:
    • C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))
  • common name:
    • 3,3',5-triiodothyroacetate
  • inchi key:
    • InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-M
  • molecular weight:
    • 620.928
  • Synonym(s):
    • 3,3',5-triiodothyroacetic acid
    • Triac
    • Tiratricol
    • Tiracana

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))" cannot be used as a page name in this wiki.