Difference between revisions of "INDOXYL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-787 CPD-787] == * smiles: ** C([O-])(=O)CC=CC=C(O)C(=O)[O-] * inchi key: ** InChIKey=ZBCBET...")
 
(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...")
 
(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=CPD-787 CPD-787] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)CC=CC=C(O)C(=O)[O-]
+
** C2(C=CC1(=C(C(O)=CN1)C=2))
 
* inchi key:
 
* inchi key:
** InChIKey=ZBCBETMBSDTINL-NWJCXACMSA-L
+
** InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N
 
* common name:
 
* common name:
** (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
+
** indoxyl
 
* molecular weight:
 
* molecular weight:
** 170.121    
+
** 133.149    
 
* Synonym(s):
 
* Synonym(s):
** (2Z,4Z)-2-hydroxy-hept-2,4-diene-1,7-dioate
+
** indole-3-ol
** HHDD
+
** (2Z,4Z)-2-hydroxyhepta-2,4-diene-1,7-dioate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN1K-87]]
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* [[RXN-15587]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54715389 54715389]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50591 50591]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.11531600.html 11531600]
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** [http://www.chemspider.com/Chemical-Structure.45861.html 45861]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78626 78626]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17840 17840]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05600 C05600]
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** [http://www.genome.jp/dbget-bin/www_bget?C05658 C05658]
{{#set: smiles=C([O-])(=O)CC=CC=C(O)C(=O)[O-]}}
+
* HMDB : HMDB04094
{{#set: inchi key=InChIKey=ZBCBETMBSDTINL-NWJCXACMSA-L}}
+
{{#set: smiles=C2(C=CC1(=C(C(O)=CN1)C=2))}}
{{#set: common name=(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate}}
+
{{#set: inchi key=InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N}}
{{#set: molecular weight=170.121   }}
+
{{#set: common name=indoxyl}}
{{#set: common name=(2Z,4Z)-2-hydroxy-hept-2,4-diene-1,7-dioate|HHDD|(2Z,4Z)-2-hydroxyhepta-2,4-diene-1,7-dioate}}
+
{{#set: molecular weight=133.149   }}
{{#set: consumed or produced by=RXN1K-87}}
+
{{#set: common name=indole-3-ol}}
 +
{{#set: reversible reaction associated=RXN-15587}}

Latest revision as of 19:32, 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