Difference between revisions of "PWY-5427"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16013 CPD-16013] == * smiles: ** CCC(=N)C(=O)[O-] * inchi key: ** InChIKey=WRBRCYPPGUCRHW-U...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] == * smiles: ** C2(C=CC1(=C(C(O)=CN1)C=2)) * inchi key: ** InChIKey=PCKPVGOLPK...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16013 CPD-16013] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] ==
 
* smiles:
 
* smiles:
** CCC(=N)C(=O)[O-]
+
** C2(C=CC1(=C(C(O)=CN1)C=2))
 
* inchi key:
 
* inchi key:
** InChIKey=WRBRCYPPGUCRHW-UHFFFAOYSA-M
+
** InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 2-iminobutanoate
+
** indoxyl
 
* molecular weight:
 
* molecular weight:
** 100.097    
+
** 133.149    
 
* Synonym(s):
 
* Synonym(s):
 +
** indole-3-ol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15123]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-15121]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-15587]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=19796801 19796801]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50591 50591]
{{#set: smiles=CCC(=N)C(=O)[O-]}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=WRBRCYPPGUCRHW-UHFFFAOYSA-M}}
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** [http://www.chemspider.com/Chemical-Structure.45861.html 45861]
{{#set: common name=2-iminobutanoate}}
+
* CHEBI:
{{#set: molecular weight=100.097   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17840 17840]
{{#set: consumed by=RXN-15123}}
+
* LIGAND-CPD:
{{#set: produced by=RXN-15121}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05658 C05658]
 +
* HMDB : HMDB04094
 +
{{#set: smiles=C2(C=CC1(=C(C(O)=CN1)C=2))}}
 +
{{#set: inchi key=InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N}}
 +
{{#set: common name=indoxyl}}
 +
{{#set: molecular weight=133.149   }}
 +
{{#set: common name=indole-3-ol}}
 +
{{#set: reversible reaction associated=RXN-15587}}

Revision as of 13:36, 21 March 2018

Metabolite INDOXYL

  • smiles:
    • C2(C=CC1(=C(C(O)=CN1)C=2))
  • inchi key:
    • InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N
  • common name:
    • indoxyl
  • molecular weight:
    • 133.149
  • Synonym(s):
    • indole-3-ol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links