Difference between revisions of "Tiso gene 7378"

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(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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TROPATE TROPATE] == * smiles: ** C(O)C(C1(C=CC=CC=1))C([O-])=O * inchi key: ** InChIKey=JACRWUW...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TROPATE TROPATE] ==
 
* smiles:
 
* smiles:
** C2(C=CC1(=C(C(O)=CN1)C=2))
+
** C(O)C(C1(C=CC=CC=1))C([O-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N
+
** InChIKey=JACRWUWPXAESPB-UHFFFAOYSA-M
 
* common name:
 
* common name:
** indoxyl
+
** tropate
 
* molecular weight:
 
* molecular weight:
** 133.149    
+
** 165.168    
 
* Synonym(s):
 
* Synonym(s):
** indole-3-ol
 
  
 
== 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 ==
 +
* [[TROPINESTERASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-15587]]
 
 
== External links  ==
 
== External links  ==
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=20990 20990]
 +
* CAS : 529-64-6
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50591 50591]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460086 5460086]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01456 C01456]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.45861.html 45861]
+
** [http://www.chemspider.com/Chemical-Structure.4573754.html 4573754]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17840 17840]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17000 17000]
* LIGAND-CPD:
+
{{#set: smiles=C(O)C(C1(C=CC=CC=1))C([O-])=O}}
** [http://www.genome.jp/dbget-bin/www_bget?C05658 C05658]
+
{{#set: inchi key=InChIKey=JACRWUWPXAESPB-UHFFFAOYSA-M}}
* HMDB : HMDB04094
+
{{#set: common name=tropate}}
{{#set: smiles=C2(C=CC1(=C(C(O)=CN1)C=2))}}
+
{{#set: molecular weight=165.168   }}
{{#set: inchi key=InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N}}
+
{{#set: produced by=TROPINESTERASE-RXN}}
{{#set: common name=indoxyl}}
+
{{#set: molecular weight=133.149   }}
+
{{#set: common name=indole-3-ol}}
+
{{#set: consumed or produced by=RXN-15587}}
+

Revision as of 18:34, 18 March 2018

Metabolite TROPATE

  • smiles:
    • C(O)C(C1(C=CC=CC=1))C([O-])=O
  • inchi key:
    • InChIKey=JACRWUWPXAESPB-UHFFFAOYSA-M
  • common name:
    • tropate
  • molecular weight:
    • 165.168
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C(C1(C=CC=CC=1))C([O-])=O" cannot be used as a page name in this wiki.