Difference between revisions of "Tiso gene 17306"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1091 CPD-1091] == * smiles: ** C(O)(C([O-])=O)NC(N)=O * inchi key: ** InChIKey=NWZYYCVIOKVT...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETATE PHENYLACETATE] == * smiles: ** C1(=CC=C(C=C1)CC([O-])=O) * inchi key: ** InChIKey...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1091 CPD-1091] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETATE PHENYLACETATE] ==
 
* smiles:
 
* smiles:
−
** C(O)(C([O-])=O)NC(N)=O
+
** C1(=CC=C(C=C1)CC([O-])=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=NWZYYCVIOKVTII-SFOWXEAESA-M
+
** InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** S-ureidoglycolate
+
** phenylacetate
 
* molecular weight:
 
* molecular weight:
−
** 133.083    
+
** 135.142    
 
* Synonym(s):
 
* Synonym(s):
−
** (-)-ureidoglycolate
+
** 2-phenylacetate
−
** ureidoglycolate
+
** benzeneacetic acid
−
** S-(-)-ureidoglycolate
+
** phenylacetic acid
  
 
== 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 ==
−
* [[ALLANTOICASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[PHENDEHYD-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 2017665
+
* CAS : 103-82-2
 +
* Wikipedia : Phenylacetic_acid
 +
* METABOLIGHTS : MTBLC18401
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615273 23615273]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4409936 4409936]
−
* HMDB : HMDB01005
+
* HMDB : HMDB00209
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00603 C00603]
+
** [http://www.genome.jp/dbget-bin/www_bget?C07086 C07086]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.19951218.html 19951218]
+
** [http://www.chemspider.com/Chemical-Structure.3610724.html 3610724]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57296 57296]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18401 18401]
−
* BIGG : urdglyc
+
* BIGG : pac
−
{{#set: smiles=C(O)(C([O-])=O)NC(N)=O}}
+
{{#set: smiles=C1(=CC=C(C=C1)CC([O-])=O)}}
−
{{#set: inchi key=InChIKey=NWZYYCVIOKVTII-SFOWXEAESA-M}}
+
{{#set: inchi key=InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M}}
−
{{#set: common name=S-ureidoglycolate}}
+
{{#set: common name=phenylacetate}}
−
{{#set: molecular weight=133.083   }}
+
{{#set: molecular weight=135.142   }}
−
{{#set: common name=(-)-ureidoglycolate|ureidoglycolate|S-(-)-ureidoglycolate}}
+
{{#set: common name=2-phenylacetate|benzeneacetic acid|phenylacetic acid}}
−
{{#set: produced by=ALLANTOICASE-RXN}}
+
{{#set: reversible reaction associated=PHENDEHYD-RXN}}

Revision as of 18:04, 18 March 2018

Metabolite PHENYLACETATE

  • smiles:
    • C1(=CC=C(C=C1)CC([O-])=O)
  • inchi key:
    • InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M
  • common name:
    • phenylacetate
  • molecular weight:
    • 135.142
  • Synonym(s):
    • 2-phenylacetate
    • benzeneacetic acid
    • phenylacetic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 103-82-2
  • Wikipedia : Phenylacetic_acid
  • METABOLIGHTS : MTBLC18401
  • PUBCHEM:
  • HMDB : HMDB00209
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : pac
"C1(=CC=C(C=C1)CC([O-])=O)" cannot be used as a page name in this wiki.



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