Difference between revisions of "PWY-5523"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRYPTAMINE TRYPTAMINE] == * smiles: ** C([N+])CC2(=CNC1(=C(C=CC=C1)2)) * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11400 CPD-11400] == * smiles: ** C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRYPTAMINE TRYPTAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11400 CPD-11400] ==
 
* smiles:
 
* smiles:
−
** C([N+])CC2(=CNC1(=C(C=CC=C1)2))
+
** C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))
 
* inchi key:
 
* inchi key:
−
** InChIKey=APJYDQYYACXCRM-UHFFFAOYSA-O
+
** InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-M
 
* common name:
 
* common name:
−
** tryptamine
+
** 3,5,3'-triiodo-L-thyronine phenolic β-D-glucuronide
 
* molecular weight:
 
* molecular weight:
−
** 161.226    
+
** 826.095    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-(2-aminoethyl)indole
+
** triiodothyronine glucuronide
 +
** beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl, (S)-
 +
** T3G
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[STRICTOSIDINE-SYNTHASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10607]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 61-54-1
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3985862 3985862]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659063 90659063]
−
* HMDB : HMDB00303
+
{{#set: smiles=C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))}}
−
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-M}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00398 C00398]
+
{{#set: common name=3,5,3'-triiodo-L-thyronine phenolic β-D-glucuronide}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=826.095   }}
−
** [http://www.chemspider.com/Chemical-Structure.3205163.html 3205163]
+
{{#set: common name=triiodothyronine glucuronide|beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl, (S)-|T3G}}
−
* CHEBI:
+
{{#set: produced by=RXN-10607}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57887 57887]
+
−
* METABOLIGHTS : MTBLC57887
+
−
{{#set: smiles=C([N+])CC2(=CNC1(=C(C=CC=C1)2))}}
+
−
{{#set: inchi key=InChIKey=APJYDQYYACXCRM-UHFFFAOYSA-O}}
+
−
{{#set: common name=tryptamine}}
+
−
{{#set: molecular weight=161.226   }}
+
−
{{#set: common name=3-(2-aminoethyl)indole}}
+
−
{{#set: consumed by=STRICTOSIDINE-SYNTHASE-RXN}}
+

Revision as of 17:57, 18 March 2018

Metabolite CPD-11400

  • smiles:
    • C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))
  • inchi key:
    • InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-M
  • common name:
    • 3,5,3'-triiodo-L-thyronine phenolic β-D-glucuronide
  • molecular weight:
    • 826.095
  • Synonym(s):
    • triiodothyronine glucuronide
    • beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2-iodophenyl, (S)-
    • T3G

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))" cannot be used as a page name in this wiki.



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