Difference between revisions of "UROCANATE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-513 CPD-513] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(...")
 
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-513 CPD-513] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=UROCANATE UROCANATE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** C1(NC=NC=1C=CC([O-])=O)
−
* common name:
+
−
** 3-hydroxy-3-phenylpropanoyl-CoA
+
−
* inchi key:
+
−
** InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J
+
 
* molecular weight:
 
* molecular weight:
−
** 911.663    
+
** 137.118    
 +
* inchi key:
 +
** InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-M
 +
* common name:
 +
** urocanate
 
* Synonym(s):
 
* Synonym(s):
−
** hydroxycinnamoyl-CoA (ambiguous)
+
** urocanic acid
−
** β-hydroxyphenyl-propionyl-CoA
+
** trans-urocanate
−
** 3-hydroxy-3-phenylpropionyl-coenzyme A
+
−
** 3-hydroxy-3-phenylpropionyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11278]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-2002]]
+
* [[HISTIDINE-AMMONIA-LYASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
* METABOLIGHTS : MTBLC17771
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70680322 70680322]
+
* CAS : 104-98-3
 +
* HMDB : HMDB00301
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573734.html 4573734]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71294 71294]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17771 17771]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06362 C06362]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00785 C00785]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
* PUBCHEM:
−
{{#set: common name=3-hydroxy-3-phenylpropanoyl-CoA}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460052 5460052]
−
{{#set: inchi key=InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J}}
+
{{#set: smiles=C1(NC=NC=1C=CC([O-])=O)}}
−
{{#set: molecular weight=911.663    }}
+
{{#set: molecular weight=137.118    }}
−
{{#set: common name=hydroxycinnamoyl-CoA (ambiguous)|β-hydroxyphenyl-propionyl-CoA|3-hydroxy-3-phenylpropionyl-coenzyme A|3-hydroxy-3-phenylpropionyl-CoA}}
+
{{#set: inchi key=InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-M}}
−
{{#set: consumed by=RXN-11278}}
+
{{#set: common name=urocanate}}
−
{{#set: produced by=RXN-2002}}
+
{{#set: common name=urocanic acid|trans-urocanate}}
 +
{{#set: produced by=HISTIDINE-AMMONIA-LYASE-RXN}}

Latest revision as of 16:54, 9 January 2019

Metabolite UROCANATE

  • smiles:
    • C1(NC=NC=1C=CC([O-])=O)
  • molecular weight:
    • 137.118
  • inchi key:
    • InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-M
  • common name:
    • urocanate
  • Synonym(s):
    • urocanic acid
    • trans-urocanate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC17771
  • CAS : 104-98-3
  • HMDB : HMDB00301
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"C1(NC=NC=1C=CC([O-])=O)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=UROCANATE&oldid=22435"