Difference between revisions of "OROTATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-578 CPD-578] == * smiles: ** C(N)(NC([O-])=O)=O * inchi key: ** InChIKey=AVWRKZWQTYIKIY-UHF...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OROTATE OROTATE] == * smiles: ** C1(=C(C([O-])=O)NC(NC(=O)1)=O) * inchi key: ** InChIKey=PXQPEW...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-578 CPD-578] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OROTATE OROTATE] ==
 
* smiles:
 
* smiles:
** C(N)(NC([O-])=O)=O
+
** C1(=C(C([O-])=O)NC(NC(=O)1)=O)
 
* inchi key:
 
* inchi key:
** InChIKey=AVWRKZWQTYIKIY-UHFFFAOYSA-M
+
** InChIKey=PXQPEWDEAKTCGB-UHFFFAOYSA-M
 
* common name:
 
* common name:
** urea-1-carboxylate
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** orotate
 
* molecular weight:
 
* molecular weight:
** 103.057    
+
** 155.09    
 
* Synonym(s):
 
* Synonym(s):
** allophanate
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** orotic acid
** allophanic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ALLOPHANATE-HYDROLASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[UREA-CARBOXYLASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[OROPRIBTRANS-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 65-86-1
 +
* METABOLIGHTS : MTBLC30839
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543250 9543250]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1492348 1492348]
* CHEMSPIDER:
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* HMDB : HMDB00226
** [http://www.chemspider.com/Chemical-Structure.7822223.html 7822223]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15832 15832]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01010 C01010]
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** [http://www.genome.jp/dbget-bin/www_bget?C00295 C00295]
{{#set: smiles=C(N)(NC([O-])=O)=O}}
+
* CHEBI:
{{#set: inchi key=InChIKey=AVWRKZWQTYIKIY-UHFFFAOYSA-M}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30839 30839]
{{#set: common name=urea-1-carboxylate}}
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* BIGG : orot
{{#set: molecular weight=103.057   }}
+
{{#set: smiles=C1(=C(C([O-])=O)NC(NC(=O)1)=O)}}
{{#set: common name=allophanate|allophanic acid}}
+
{{#set: inchi key=InChIKey=PXQPEWDEAKTCGB-UHFFFAOYSA-M}}
{{#set: consumed by=ALLOPHANATE-HYDROLASE-RXN}}
+
{{#set: common name=orotate}}
{{#set: produced by=UREA-CARBOXYLASE-RXN}}
+
{{#set: molecular weight=155.09   }}
 +
{{#set: common name=orotic acid}}
 +
{{#set: reversible reaction associated=OROPRIBTRANS-RXN}}

Revision as of 16:53, 23 May 2018

Metabolite OROTATE

  • smiles:
    • C1(=C(C([O-])=O)NC(NC(=O)1)=O)
  • inchi key:
    • InChIKey=PXQPEWDEAKTCGB-UHFFFAOYSA-M
  • common name:
    • orotate
  • molecular weight:
    • 155.09
  • Synonym(s):
    • orotic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 65-86-1
  • METABOLIGHTS : MTBLC30839
  • PUBCHEM:
  • HMDB : HMDB00226
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : orot
"C1(=C(C([O-])=O)NC(NC(=O)1)=O)" cannot be used as a page name in this wiki.