Difference between revisions of "RXN66-1"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=UROCANATE UROCANATE] == * smiles: ** C1(NC=NC=1C=CC([O-])=O) * inchi key: ** InChIKey=LOIYMIARK...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=UROCANATE UROCANATE] ==
 
* smiles:
 
* smiles:
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
+
** C1(NC=NC=1C=CC([O-])=O)
 
* inchi key:
 
* inchi key:
** InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
+
** InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-M
 
* common name:
 
* common name:
** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
+
** urocanate
 
* molecular weight:
 
* molecular weight:
** 427.646    
+
** 137.118    
 
* Synonym(s):
 
* Synonym(s):
 +
** urocanic acid
 +
** trans-urocanate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-318]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[HISTIDINE-AMMONIA-LYASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 104-98-3
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659076 90659076]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460052 5460052]
{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))}}
+
* HMDB : HMDB00301
{{#set: inchi key=InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M}}
+
* LIGAND-CPD:
{{#set: common name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00785 C00785]
{{#set: molecular weight=427.646   }}
+
* CHEMSPIDER:
{{#set: consumed by=RXN66-318}}
+
** [http://www.chemspider.com/Chemical-Structure.4573734.html 4573734]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17771 17771]
 +
* METABOLIGHTS : MTBLC17771
 +
{{#set: smiles=C1(NC=NC=1C=CC([O-])=O)}}
 +
{{#set: inchi key=InChIKey=LOIYMIARKYCTBW-OWOJBTEDSA-M}}
 +
{{#set: common name=urocanate}}
 +
{{#set: molecular weight=137.118   }}
 +
{{#set: common name=urocanic acid|trans-urocanate}}
 +
{{#set: produced by=HISTIDINE-AMMONIA-LYASE-RXN}}

Revision as of 13:37, 21 March 2018

Metabolite UROCANATE

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

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